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L-Histidine hydrochloride monohydrate

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Name

L-Histidine hydrochloride monohydrate

EINECS 211-438-9
CAS No. 5934-29-2 Density 1.485 g/cm3
PSA 101.23000 LogP 0.80210
Solubility H2O: 100 mg/mL Melting Point 254 °C (dec.)(lit.)
Formula C6H12ClN3O3 Boiling Point 458.9 °C at 760 mmHg
Molecular Weight 209.63 Flash Point 231.3 °C
Transport Information Appearance white crystals or cryst, or granular powder
Safety 22-24/25-36/37-26 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 5934-29-2 (L-Histidine hydrochloride monohydrate) Hazard Symbols HarmfulXn
Synonyms

Histidine,monohydrochloride, monohydrate, L- (8CI);L-Histidine, monohydrochloride,monohydrate (9CI);L-Histidinemonohydrate monohydrochloride;L-Histidine Hcl Mono;

 

L-Histidine hydrochloride monohydrate Synthetic route

71-00-1

L-histidine

5934-29-2

L-histidine hydrochloride monohydrate

Conditions
ConditionsYield
With hydrogenchloride; water at 26.84℃;
5934-29-2

L-histidine hydrochloride monohydrate

A

(S)-4,4-dimethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridinyl-6-carboxylic acid dihydrochloride

B

154056-78-7

(S)-4,4-dimethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridinyl-6-carboxylic acid hydrochloride

Conditions
ConditionsYield
With sodium hydroxide In water; hydrogen; acetoneA 100%
B n/a
25474-85-5

4-methoxybenzyloxycarbonyl azide

5934-29-2

L-histidine hydrochloride monohydrate

(S)-3-(1H-Imidazol-4-yl)-2-(4-methoxy-benzyloxycarbonylamino)-propionic acid; hydrate

Conditions
ConditionsYield
66%
28920-43-6

(fluorenylmethoxy)carbonyl chloride

5934-29-2

L-histidine hydrochloride monohydrate

(S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-(1H-imidazol-4-yl)-propionic acid; hydrate

Conditions
ConditionsYield
With sodium hydrogencarbonate In 1,4-dioxane for 5h;62%

bis(L-histidine)ZnCl2

5934-29-2

L-histidine hydrochloride monohydrate

(L-histidine)ZnCl2*HCl

Conditions
ConditionsYield
In water soln. of ZnCl2 added slowly;; acetone added; crystd. at -27°C; elem. anal.;;56%
5934-29-2

L-histidine hydrochloride monohydrate

2002-22-4, 13552-61-9, 51302-10-4

2-mercapto-L-histidine

Conditions
ConditionsYield
Stage #1: L-histidine hydrochloride monohydrate With bromine In water at -2 - 0℃; for 0.0833333 - 0.116667h;
Stage #2: With L-Cysteine In water at 0℃; for 1h;
Stage #3: With 3-mercaptopropionic acid at 95℃; for 18h;
49%
67714-30-1

S-benzoyl-3-mercaptopropanoyl chloride

5934-29-2

L-histidine hydrochloride monohydrate

64991-73-7

N2-(S-benzoyl-3-mercaptopropanoyl)-L-histidine

Conditions
ConditionsYield
With sodium hydroxide; potassium carbonate In water for 1h;39%

potassium pentachloronitrosylruthenate(III)

5934-29-2

L-histidine hydrochloride monohydrate

Ru(NO)Cl2(L-histidine(1-))*0.5H2O

Conditions
ConditionsYield
With KCl In water Ru-complex, ligand and KCl dissolved in H2O, pH 4 adjusted by HCl, refluxed for 2 h; evapd. to dryness on rotary evaporator, suspended in H2O, centrifuged, vac. dried; elem. anal.;37.7%
5934-29-2

L-histidine hydrochloride monohydrate

58632-95-4

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

17791-52-5

N-(tert-butoxycarbonyl)-L-histidine

Conditions
ConditionsYield
With Dowex 50; triethylamine 1.) H2O, dioxane, 5 h, pH=8; 2.) MeOH, 0.1M pyridinium acetate buffer; Yield given. Multistep reaction;
5934-29-2

L-histidine hydrochloride monohydrate

501-53-1

benzyl chloroformate

14997-58-1

N-[(benzyloxy)carbonyl]-L-histidine

Conditions
ConditionsYield
With sodium hydroxide; Dowex 50 1.) 3 h; 2.) MeOH, 0.1M pyridinium acetate buffer; Yield given. Multistep reaction;
98-91-9

thiobenzoic acid

5934-29-2

L-histidine hydrochloride monohydrate

haloacetyl chloride

haloacetyl chloride

64991-72-6

Nα-benzoylsulfanylacetyl-histidine

Conditions
ConditionsYield
With 1.) aq. alkali; 2.) aq. alkali Yield given. Multistep reaction;
5934-29-2

L-histidine hydrochloride monohydrate

fuming hydrochloric acid

fuming hydrochloric acid

concentrated sodium nitrite

concentrated sodium nitrite

α-chloro-β--propionic acid

α-chloro-β--propionic acid

5934-29-2

L-histidine hydrochloride monohydrate

98-88-4

benzoyl chloride

alkali

alkali

5354-94-9

N-benzoyl-L-histidine

5934-29-2

L-histidine hydrochloride monohydrate

sodium hypochlorite

sodium hypochlorite

-acetaldehyde

-acetaldehyde

5934-29-2

L-histidine hydrochloride monohydrate

methanolic hydrochloric acid

methanolic hydrochloric acid

-methyl ester

-methyl ester

Conditions
ConditionsYield
Reaktion des wasserfreies Salzes;
5934-29-2

L-histidine hydrochloride monohydrate

A

15719-64-9, 15719-76-3, 97762-63-5

methylammonium carbonate

B

ammonium chloride

ammonium chloride

Conditions
ConditionsYield
at 255℃;
5934-29-2

L-histidine hydrochloride monohydrate

silver nitrite

silver nitrite

water

water

levorotatory β--lactic acid

levorotatory β--lactic acid

5934-29-2

L-histidine hydrochloride monohydrate

water

water

NH3

NH3

Conditions
ConditionsYield
mit Roentgen-Strahlen.Irradiation;
Kathoden-Strahlen;
5934-29-2

L-histidine hydrochloride monohydrate

water

water

sensitizer

sensitizer

NH3

NH3

Conditions
ConditionsYield
UV-Licht;
5934-29-2

L-histidine hydrochloride monohydrate

62404-82-4

N-mercaptoacetyl-L-histidine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1.) aq. alkali; 2.) aq. alkali
2: 80 percent / aq. NH4OH
View Scheme
5934-29-2

L-histidine hydrochloride monohydrate

62404-83-5

Nα-(3-mercaptopropanoyl)-L-histidine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 39 percent / NaOH, K2CO3 / H2O / 1 h
2: 60 percent / aq. ammonia / 1 h / Ambient temperature
View Scheme

copper (II) acetate monohydrate

5934-29-2

L-histidine hydrochloride monohydrate

90-02-8

salicylaldehyde

Cu(sal-his)*1.5H2O

Conditions
ConditionsYield
With NaOH In ethanol; water EtOH soln. of salicylaldehyde was added to aq. soln. of histidine hydrochloride with stirring; aq. soln. of Cu salt was added to prepd. soln. with stirring, soln. of NaOH was added and the soln. was heated at 70°C for 30 min; filtration, washing with water, EtOH, Et2O, drying in vac.; elem. anal.;
67-56-1

methanol

Mo3S4(4+)*9H2O = {Mo3S4(H2O)9}(4+)

5934-29-2

L-histidine hydrochloride monohydrate

A

[Mo3(L-histidinato)3(μ-S)3(μ3-S)]Cl*KCl*6H2O

B

[Mo3(L-histidinato)3(μ-S)3(μ3-S)]Cl*0.5KCl*MeOH*6H2O

Conditions
ConditionsYield
With KOH In hydrogenchloride byproducts: KCl; to a soln. of Mo-contg. compd. in aq. HCl, L-Hhis*HCl*H2O was added; Ph = ca. 7; the ppt. was removed by filtration; MeOH was added to deposit KCl; KCl was removed by filtration; the filtrate was evapd.; MeOH was added; recrystn. from a hot satd. KCl aq. soln.; elem. anal.;
621-59-0

isovanillin

uranyl nirate hexahydrate

5144-89-8

1,10-phenanthroline hydrate

5934-29-2

L-histidine hydrochloride monohydrate

UO2(N-o-vanillylidene-L-histidinate)(1,10-phenanthroline) * H2O

Conditions
ConditionsYield
With KOH In methanol; water treatment of aminoacid with aldehyde in presence of KOH, evapn., addn. of 1 equiv. UO2-salt and 1,10-phenanthroline; elem. anal.;
621-59-0

isovanillin

uranyl nirate hexahydrate

5934-29-2

L-histidine hydrochloride monohydrate

UO2(N-o-vanillylidene-L-histidinate)(2,2'-bipyridyl) * 3 H2O

Conditions
ConditionsYield
With KOH; 2,2'-bipyridyl In methanol; water treatment of aminoacid with aldehyde in presence of KOH, evapn., addn. of 1 equiv. UO2-salt and 2,2'-bipyridine; elem. anal.;

uranyl nirate hexahydrate

5144-89-8

1,10-phenanthroline hydrate

5934-29-2

L-histidine hydrochloride monohydrate

90-02-8

salicylaldehyde

UO2(salicylidene-L-histidinate)(1,10-phenanthroline) * 4 H2O

Conditions
ConditionsYield
With KOH In methanol; water treatment of aminoacid with aldehyde in presence of KOH, evapn., addn. of 1 equiv. UO2-salt and 1,10-phenanthroline; elem. anal.;

uranyl nirate hexahydrate

5934-29-2

L-histidine hydrochloride monohydrate

90-02-8

salicylaldehyde

UO2(salicylidene-L-histidinate)(2,2'-bipyridyl) * 2 H2O

Conditions
ConditionsYield
With KOH; 2,2'-bipyridyl In methanol; water treatment of aminoacid with aldehyde in presence of KOH, evapn., addn. of 1 equiv. UO2-salt and 2,2'-bipyridine; elem. anal.;
5934-29-2

L-histidine hydrochloride monohydrate

copper dichloride

copper(L-histidine)2

Conditions
ConditionsYield
With NaOH; H2SO4 In water soln. stirred for an hour at room temp.; pH adjusted to 7.3 using NaOH or H2SO4;
10025-73-7

chromium(III) chloride

5934-29-2

L-histidine hydrochloride monohydrate

Cr(3+) doped (L)-histidine hydrochloride monohydrate

Cr(3+) doped (L)-histidine hydrochloride monohydrate

Conditions
ConditionsYield
In water aq. soln. contg. CrCl3 (0.01 mol%) slowly evapd. at room temp. for 15-20d;

L-Histidine hydrochloride monohydrate Specification

1. Introduction of L-Histidine hydrochloride monohydrate

L-Histidine hydrochloride monohydrate, with the  IUPAC name of (2S)-2-Amino-3-(1H-imidazol-5-yl)propanoic acid hydrate hydrochloride, has the systematic name is called L-Histidine hydrochloride hydrate. It is white crystals or cryst, or granular powder. This chemical belongs to the product categories of Amino Acid Derivatives; Alpha-Amino Acids; Amino Acids; Biochemistry and L-Amino Acids.

2. Properties of L-Histidine hydrochloride monohydrate

Physical properties about L-Histidine hydrochloride monohydrate are: (1) ACD/LogP: -1.27; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 5; (4) #H bond donors: 4; (5) #Freely Rotating Bonds: 4; (6) Polar Surface Area: 47.36 Å2; (7) Flash Point: 231.3 °C; (8) Enthalpy of Vaporization: 75.79 kJ/mol; (9) Boiling Point: 458.9 °C at 760 mmHg; (10) Vapour Pressure: 3.25E-09 mmHg at 25°C; (11) Melting Point: 254 °C.

3. Structure Descriptors of L-Histidine hydrochloride monohydrate

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O=C(O)[C@@H](N)Cc1cncn1.O
(2) InChI: InChI=1/C6H9N3O2.ClH.H2O/c7-5(6(10)11)1-4-2-8-3-9-4;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H;1H2/t5-;;/m0../s1
(3) InChIKey: CMXXUDSWGMGYLZ-XRIGFGBMBT

4. Toxicity of L-Histidine hydrochloride monohydrate

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1677mg/kg (1677mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 1117, 1977.
 

5. Safety Information of L-Histidine hydrochloride monohydrate

Hazard Codes Xn
Risk Statements 22-36/37/38
Safety Statements 22-24/25-36/37-26
WGK Germany 3
RTECS MS3119000
F 10
HS Code 29332990
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and harmful if swallowed. Besides, it may cause damage to health and can not breathe dust. Therefore, you should wear suitable protective clothing and gloves. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

6. Use and Preparation of L-Histidine hydrochloride monohydrate

Uses of L-Histidine hydrochloride monohydrate: (1) it is used as accessorysubstance and can be used to strengthen infant foods; (2) it is used to aid in the treatment of peptic ulcer, also can cure anemia and angina, aortic inflammation, and cardiac function not congruent cardiovascular system diseases.

Preparation of L-Histidine hydrochloride monohydrate: Hemoglobin by Hydrochloric acid hydrolysis can product L-Histidine,hydrochloride.

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