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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 | 209.633 | Flash Point | 231.3 °C |
Transport Information | N/A | Appearance | white crystals or cryst, or granular powder |
Safety | 22-24/25-36/37-26 | Risk Codes | 22-36/37/38 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Histidine,monohydrochloride, monohydrate, L- (8CI);L-Histidine, monohydrochloride,monohydrate (9CI);L-Histidinemonohydrate monohydrochloride;L-Histidine Hcl Mono; |
Article Data | 3 |
Conditions | Yield |
---|---|
With hydrogenchloride; water at 26.84℃; |
L-histidine hydrochloride monohydrate
B
(S)-4,4-dimethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridinyl-6-carboxylic acid hydrochloride
Conditions | Yield |
---|---|
With sodium hydroxide In water; hydrogen; acetone | A 100% B n/a |
4-methoxybenzyloxycarbonyl azide
L-histidine hydrochloride monohydrate
Conditions | Yield |
---|---|
66% |
(fluorenylmethoxy)carbonyl chloride
L-histidine hydrochloride monohydrate
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In 1,4-dioxane for 5h; | 62% |
Conditions | Yield |
---|---|
In water soln. of ZnCl2 added slowly;; acetone added; crystd. at -27°C; elem. anal.;; | 56% |
L-histidine hydrochloride monohydrate
2-mercapto-L-histidine
Conditions | Yield |
---|---|
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% |
S-benzoyl-3-mercaptopropanoyl chloride
L-histidine hydrochloride monohydrate
N2-(S-benzoyl-3-mercaptopropanoyl)-L-histidine
Conditions | Yield |
---|---|
With sodium hydroxide; potassium carbonate In water for 1h; | 39% |
L-histidine hydrochloride monohydrate
Conditions | Yield |
---|---|
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% |
L-histidine hydrochloride monohydrate
2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile
N-(tert-butoxycarbonyl)-L-histidine
Conditions | Yield |
---|---|
With Dowex 50; triethylamine 1.) H2O, dioxane, 5 h, pH=8; 2.) MeOH, 0.1M pyridinium acetate buffer; Yield given. Multistep reaction; |
L-histidine hydrochloride monohydrate
benzyl chloroformate
N-[(benzyloxy)carbonyl]-L-histidine
Conditions | Yield |
---|---|
With sodium hydroxide; Dowex 50 1.) 3 h; 2.) MeOH, 0.1M pyridinium acetate buffer; Yield given. Multistep reaction; |
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. |