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CAS No.: | 71-00-1 |
---|---|
Name: | Histidine |
Article Data: | 194 |
Molecular Structure: | |
Formula: | C6H9N3O2 |
Molecular Weight: | 155.156 |
Synonyms: | (S)-alpha-amino-1H-Imidazole-4-propanoic acid;Histidinum [INN-Latin];alpha-Amino-4(or 5)-imidazolepropionic acid;(L)-Histidine;1H-Imidazole-4-alanine, (S)-;4-(2-Amino-2-carboxyethyl)imidazole;(S)-4-(2-Amino-2-carboxyethyl)imidazole;(2S)-2-azaniumyl-3-(3H-imidazol-4-yl)propanoate;Histidine (VAN);L-Alanine, 3-(1H-imidazol-4-yl)-;Glyoxaline-5-alanine;S-Histidine;alpha-amino-4-imidazoleproprionic acid;Histidine (USP);Istidina;L-Histidine (JAN);(S)-2-Amino-3-(4-imidazolyl)propionsaeure;L-Histidine Base;L-2-Amino-3-(4-imidazolyl)propionic acid;L-His-OH;L-Histidine;HIS;(S)-alpha-Amino-1H-imidazole-4-propionic acid; |
EINECS: | 200-745-3 |
Density: | 1.423 g/cm3 |
Melting Point: | 282 °C (dec.)(lit.) |
Boiling Point: | 458.9 °C at 760 mmHg |
Flash Point: | 231.3 °C |
Solubility: | 41.6 g/L (25 ºC) |
Appearance: | white crystalline powder |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 24/25-36/37-26-22 |
PSA: | 92.00000 |
LogP: | 0.06440 |
N(α)-t-butoxycarbonyl-N(ϖ)-benzyloxymethyl-L-histidine
L-histidine
Conditions | Yield |
---|---|
With Nafion H; dimethylsulfide; 3-methyl-phenol; trifluoroacetic acid for 3h; | 100% |
With trimethylsilyl trifluoromethanesulfonate; diphenyl sulfide In trifluoroacetic acid at 0℃; for 0.5h; Product distribution; New peptide deprotection procedure: hard-soft acid-base concept; the role of soft bases (thioanisole, dimethylsulfide, diphenylsulfide) employed.; | 90.2% |
Boc-His(Tos)-OH
L-histidine
Conditions | Yield |
---|---|
With trimethylsilyl trifluoromethanesulfonate; diphenyl sulfide In trifluoroacetic acid at 0℃; for 0.5h; Product distribution; New peptide deprotection procedure: hard-soft acid-base concept; the role of soft bases (thioanisole, dimethylsulfide, diphenylsulfide) employed.; | 100% |
With trifluoroacetic acid-thioanisole for 1h; Product distribution; various reagents; | 16.7% |
H-His(MBS)-OH
L-histidine
Conditions | Yield |
---|---|
With sodium hydroxide at 23℃; for 1h; Product distribution; various reagents; | 100% |
hexan-1-amine
(S)-2-(3,5-Dinitro-4-oxo-4H-pyridin-1-yl)-3-(1H-imidazol-4-yl)-propionic acid
A
1-hexyl-3,5-dinitro-4-pyridone
B
L-histidine
Conditions | Yield |
---|---|
In pyridine Product distribution; | A n/a B 92% |
N-(tert-butoxycarbonyl)-L-histidine
L-histidine
Conditions | Yield |
---|---|
With tetradecyl(trihexyl)phosphonium bistriflamide; trifluoroacetic acid at 130℃; for 0.166667h; Ionic liquid; | 92% |
L-histidine
Conditions | Yield |
---|---|
With ruthenium nanoparticles dispersed in a polyvinylpyrrolidone matrix; amberlyst A-21 In methanol; dichloromethane | 87% |
Conditions | Yield |
---|---|
With iron(III) sulfate In water at 95℃; for 1h; | 85% |
L-histidine
Conditions | Yield |
---|---|
With palladium In methanol; cyclohexane for 120h; Reflux; | 84.5% |
Conditions | Yield |
---|---|
With trans-[Co(3,2,3-tet)Cl2]Cl; water In water at 45℃; for 6h; pH=7.5; | 75% |
Conditions | Yield |
---|---|
With ammonium sulfate; ammonium hydroxide; dipotassium hydrogenphosphate; potassium dihydrogenphosphate; (S)-2-[3]pyridyl-pyrrolidine-1-carboxylic acid amide; calcium (R)-pantothenate; Thiamine hydrochloride; magnesium sulfate; iron(II) sulfate; urea; calcium carbonate; sodium chloride; manganese(ll) chloride; biotin In water at 28℃; for 46h; Mechanism; fermentation with Corynebacterium glutamicum N-730; pH=7.4; | A n/a B n/a C 5% |
Reported in EPA TSCA Inventory.
1. Introduction of L-Histidine
L-Histidine, with the IUPAC Name: (2S)-2-Amino-3-(1H-imidazol-5-yl)propanoic acid, is one kind of white crystal powder. Histidine is used for food additives and raw materials of pharmaceutical .
2. Properties of L-Histidine
L-Histidine has the following datas: (1)Classification Code: Amino acid; Mutation data; (2)Melting point: 282 °C; (3)Index of Refraction: 1.614; (4)Molar Refractivity: 38.01 cm3; (5)Molar Volume: 108.9 cm3; (6)Surface Tension: 79.6 dyne/cm; (7)Density: 1.423 g/cm3; (8)Flash Point: 231.3 °C; (9)Enthalpy of Vaporization: 75.79 kJ/mol; (10)Boiling Point: 458.9 °C at 760 mmHg; (11)Vapour Pressure: 3.25E-09 mmHg at 25°C.
3. Structure Descriptors of L-Histidine
You could convert the following datas into the molecular structure:
InChI: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
InChIKey: InChIKey=HNDVDQJCIGZPNO-YFKPBYRVSA-N
Smiles: c1(C[C@@H](C(O)=O)N)c[nH]cn1
4. Toxicity of L-Histidine
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | > 10gm/kg (10000mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 23, Pg. 1253, 1981. | |
mouse | LD50 | intravenous | > 2gm/kg (2000mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 23, Pg. 1253, 1981. | |
mouse | LD50 | oral | > 15gm/kg (15000mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 23, Pg. 1253, 1981. | |
mouse | LD50 | subcutaneous | > 10gm/kg (10000mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 23, Pg. 1253, 1981. | |
rat | LD50 | intraperitoneal | > 8gm/kg (8000mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 23, Pg. 1253, 1981. | |
rat | LD50 | intravenous | > 2gm/kg (2000mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 23, Pg. 1253, 1981. | |
rat | LD50 | oral | > 15gm/kg (15000mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 23, Pg. 1253, 1981. | |
rat | LD50 | subcutaneous | > 10gm/kg (10000mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 23, Pg. 1253, 1981. |
5. Safety Information of L-Histidine
Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Other safty informations about Histidine (CAS NO.71-00-1):
Hazard Codes: Xn
Risk Statements: 22-36/37/38
R22: Harmful if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36/37-26-22
S24/25: Avoid contact with skin and eyes.
S36/37: Wear suitable protective clothing and gloves.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S22: Do not breathe dust.
WGK Germany: 2
RTECS: MS3070000
F: 10-23
HS Code: 29332990