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| CAS No.: | 5934-29-2 |
|---|---|
| Name: | L-Histidine hydrochloride monohydrate |
| Article Data: | 3 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H12ClN3O3 |
| Molecular Weight: | 209.633 |
| Synonyms: | Histidine,monohydrochloride, monohydrate, L- (8CI);L-Histidine, monohydrochloride,monohydrate (9CI);L-Histidinemonohydrate monohydrochloride;L-Histidine Hcl Mono; |
| EINECS: | 211-438-9 |
| Density: | 1.485 g/cm3 |
| Melting Point: | 254 °C (dec.)(lit.) |
| Boiling Point: | 458.9 °C at 760 mmHg |
| Flash Point: | 231.3 °C |
| Solubility: | H2O: 100 mg/mL |
| Appearance: | white crystals or cryst, or granular powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 22-24/25-36/37-26 |
| PSA: | 101.23000 |
| LogP: | 0.80210 |
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| Conditions | Yield |
|---|---|
| With hydrogenchloride; water at 26.84℃; |
- 5934-29-2
L-histidine hydrochloride monohydrate
B
- 154056-78-7
(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 |
- 25474-85-5
4-methoxybenzyloxycarbonyl azide
- 5934-29-2
L-histidine hydrochloride monohydrate
| Conditions | Yield |
|---|---|
| 66% |
- 28920-43-6
(fluorenylmethoxy)carbonyl chloride
- 5934-29-2
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% |
- 5934-29-2
L-histidine hydrochloride monohydrate
- 2002-22-4, 13552-61-9, 51302-10-4
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% |
- 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 | Yield |
|---|---|
| With sodium hydroxide; potassium carbonate In water for 1h; | 39% |
- 5934-29-2
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% |
- 5934-29-2
L-histidine hydrochloride monohydrate
- 58632-95-4
2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile
- 17791-52-5
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; |
- 5934-29-2
L-histidine hydrochloride monohydrate
- 501-53-1
benzyl chloroformate
- 14997-58-1
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; |
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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.