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71-00-1

Basic Information
CAS No.: 71-00-1
Name: L-Histidine
Article Data: 194
Cas Database
Molecular Structure:
Molecular Structure of 71-00-1 (L-Histidine)
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: HarmfulXn
Risk Codes: 22-36/37/38
Safety: 24/25-36/37-26-22
Transport Information: N/A
PSA: 92.00000
LogP: 0.06440
Synthetic route
83468-83-1

N(α)-t-butoxycarbonyl-N(ϖ)-benzyloxymethyl-L-histidine

71-00-1

L-histidine

Conditions
ConditionsYield
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%
35899-43-5

Boc-His(Tos)-OH

71-00-1

L-histidine

Conditions
ConditionsYield
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%
73475-63-5

H-His(MBS)-OH

71-00-1

L-histidine

Conditions
ConditionsYield
With sodium hydroxide at 23℃; for 1h; Product distribution; various reagents;100%
111-26-2

hexan-1-amine

78641-69-7

(S)-2-(3,5-Dinitro-4-oxo-4H-pyridin-1-yl)-3-(1H-imidazol-4-yl)-propionic acid

A

74197-48-1

1-hexyl-3,5-dinitro-4-pyridone

B

71-00-1

L-histidine

Conditions
ConditionsYield
In pyridine Product distribution;A n/a
B 92%
17791-52-5

N-(tert-butoxycarbonyl)-L-histidine

71-00-1

L-histidine

Conditions
ConditionsYield
With tetradecyl(trihexyl)phosphonium bistriflamide; trifluoroacetic acid at 130℃; for 0.166667h; Ionic liquid;92%

C6H9N3O2*H3N*ClH

71-00-1

L-histidine

Conditions
ConditionsYield
With ruthenium nanoparticles dispersed in a polyvinylpyrrolidone matrix; amberlyst A-21 In methanol; dichloromethane87%
2002-22-4

(2S)-2-amino-3-(2-mercapto-1H-imidazol-4-yl)propanoic acid

71-00-1

L-histidine

Conditions
ConditionsYield
With iron(III) sulfate In water at 95℃; for 1h;85%

C19H17N3O2

71-00-1

L-histidine

Conditions
ConditionsYield
With palladium In methanol; cyclohexane for 120h; Reflux;84.5%
305-84-0

Carnosine

71-00-1

L-histidine

Conditions
ConditionsYield
With trans-[Co(3,2,3-tet)Cl2]Cl; water In water at 45℃; for 6h; pH=7.5;75%
50-99-7

D-glucose

A

56-41-7

L-alanin

B

56-40-6

glycine

C

71-00-1

L-histidine

Conditions
ConditionsYield
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%
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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

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: HarmfulXn
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