(2S)-2-Amino-3-(1H-imidazol-4-yl)propanamide dihydrochloride

C₆H₁₂Cl₂N₄OCAS 71666-95-0227.09 g/mol

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Properties

Molecular formula: C₆H₁₂Cl₂N₄O
Molar mass: 227.09 g/mol
Exact mass: 226.0388 Da
Melting point: 257–258 °C
logP: 0.66Crippen estimate
Polar surface area: 98.8 Å²
H-bond donors / acceptors: 4 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

71666-95-0

SMILES

Cl.Cl.N=C(O)[C@@H](N)Cc1cnc[nH]1

InChIKey

CRBYFJCXMZNLTO-XRIGFGBMSA-N

InChI

InChI=1S/C6H10N4O.2ClH/c7-5(6(8)11)1-4-2-9-3-10-4;;/h2-3,5H,1,7H2,(H2,8,11)(H,9,10);2*1H/t5-;;/m0../s1

Weigh it out

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

Names and synonyms

3 names

1H-Imidazole-5-propanamide, α-amino-, hydrochloride (1:2), (αS)-
1H-Imidazole-4-propanamide, α-amino-, dihydrochloride, (S)-
1H-Imidazole-4-propanamide, α-amino-, dihydrochloride, (αS)-

Work with (2S)-2-Amino-3-(1H-imidazol-4-yl)propanamide dihydrochloride

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

Elsewhere

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