DL-Histidine

C6H9N3O2CAS 4998-57-6155.16 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
828 °C
logP
-0.64Crippen estimate
Polar surface area
92.0 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
4998-57-6
SMILES
NC(Cc1cnc[nH]1)C(=O)O
InChIKey
HNDVDQJCIGZPNO-UHFFFAOYSA-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)

Weigh it out

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

Names and synonyms

7 names
  • Histidine
  • Histidine, DL-
  • (±)-Histidine
  • 1H-Imidazole-4-alanine
  • 2-Amino-3-(1H-imidazol-5-yl)propanoic acid
  • 2-Amino-3-(5-imidazolyl)propanoic acid
  • 2-Amino-3-(1H-imidazol-4-yl)propanoic acid

Work with DL-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.

Histidine71-00-1Defined stereoisomer D-Histidine351-50-8Defined stereoisomer L-Histidine monohydrochloride645-35-2Salt, defined stereoisomer DL-Histidine hydrochloride6459-59-2Salt D-Histidine hydrochloride6341-24-8Salt, defined stereoisomer Histidine monohydrochloride monohydrate5934-29-2Salt, defined stereoisomer L-Histidine hydrochloride (1:?)1007-42-7Salt, defined stereoisomer Dl-histidine monohydrochloride monohydrate123333-71-1Salt

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 5,6-Dimethoxypyrimidin-4-amine5018-45-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook