Histidine

C6H9N3O2CAS 71-00-1155.16 g/mol

Open in Covalent MOL file
H2NNHNOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C6H9N3O2
Molar mass
155.16 g/mol
Exact mass
155.0695 Da
Melting point
287 °C (decomposes)
pKa
1.78, 2.76 (0 °C), 5.97, 8.97
logP
-0.64Crippen estimate
Polar surface area
92.0 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 320 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
71-00-1
SMILES
N[C@@H](Cc1cnc[nH]1)C(=O)O
InChIKey
HNDVDQJCIGZPNO-YFKPBYRVSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

17 names · show all
  • L-Histidine
  • Histidine, L-
  • 1H-Imidazole-4-propanoic acid, α-amino-, (S)-
  • (S)-4-(2-Amino-2-carboxyethyl)imidazole
  • Glyoxaline-5-alanine
  • L-(-)-Histidine
  • (S)-Histidine
  • (S)-α-Amino-1H-imidazole-4-propanoic acid
  • 1H-Imidazole-4-alanine, (S)-
  • L-Alanine, 3-(1H-imidazol-4-yl)-
  • NSC 137773
  • (2S)-2-Amino-3-(1H-imidazol-4-yl)propanoic acid
  • 8: PN: EP2878667 TABLE: 5 claimed sequence
  • (S)-2-Amino-3-(1H-imidazol-4-yl)propanoic acid
  • (2S)-2-Azaniumyl-3-(1H-imidazol-5-yl)propanoate
  • 124: PN: WO2020191245 SEQID: 252 claimed protein
  • 103: PN: WO2021061872 SEQID: 103 claimed protein

Work with Histidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

D-Histidine351-50-8Enantiomer DL-Histidine4998-57-6Stereo not defined L-Histidine monohydrochloride645-35-2Salt DL-Histidine hydrochloride6459-59-2Salt, stereo not defined D-Histidine hydrochloride6341-24-8Salt, enantiomer Histidine monohydrochloride monohydrate5934-29-2Salt L-Histidine hydrochloride (1:?)1007-42-7Salt Dl-histidine monohydrochloride monohydrate123333-71-1Salt, stereo not defined

Similar compounds

Histidylglycine2578-58-759 % similar H-His-NH2.2HCl71666-95-059 % similar N-Acetyl-L-histidine2497-02-157 % similar Carnosine305-84-055 % similar Beta-alanylhistidine9001-99-455 % similar Histidine methyl ester dihydrochloride7389-87-955 % similar L-4-Pyridylalanine37535-49-254 % similar (αR)-α-Amino-4-pyridinepropanoic acid37535-50-554 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 5-amino-1H-pyrazole-3-carboxylate105434-90-0 Cupferron135-20-6 Ethyl 4-amino-1H-imidazole-5-carboxylate21190-16-9 2-Amino-4,6-dimethoxypyrimidine256642-28-1 2,6-Dimethoxy-4-pyrimidinamine3289-50-7 2-Amino-4,6-dimethoxypyrimidine36315-01-2

Elsewhere

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