chempirical

Dl-histidine

C6H9N3O2CAS 4998-57-6155.16 g/mol

Open in Covalent MOL file
H2NNHNOHO
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

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)

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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

Similar compounds

Histidine71-00-1100 % similar L-Histidine hydrochloride (1:?)1007-42-791 % similar D-Histidine hydrochloride6341-24-891 % similar (-)-Histidine monohydrochloride645-35-291 % similar DL-Histidine hydrochloride6459-59-291 % similar Dl-histidine monohydrochloride monohydrate123333-71-184 % similar L-Histidine hydrochloride monohydrate5934-29-284 % similar Histidylglycine2578-58-759 % 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 2-Amino-4,6-dimethoxypyrimidine256642-28-1 2,6-Dimethoxy-4-pyrimidinamine3289-50-7 D-Histidine351-50-8 2-Amino-4,6-dimethoxypyrimidine36315-01-2 4-Amino-5,6-dimethoxypyrimidine5018-45-1 6-Amino-1,3-dimethyluracil6642-31-5

Elsewhere

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