chempirical

L-Alanine-4-nitroanilide hydrochloride

C9H12ClN3O3CAS 31796-55-1245.66 g/mol

Open in Covalent MOL file
H2NOHNN+OO−HCl
AmideNitroPrimary amine

Properties

Molecular formula
C9H12ClN3O3
Molar mass
245.66 g/mol
Exact mass
245.0567 Da
logP
1.30Crippen estimate
Polar surface area
98.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
31796-55-1
SMILES
C[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.Cl
InChIKey
YEXRLSXNWLNHQR-RGMNGODLSA-N
InChI
InChI=1S/C9H11N3O3.ClH/c1-6(10)9(13)11-7-2-4-8(5-3-7)12(14)15;/h2-6H,10H2,1H3,(H,11,13);1H/t6-;/m0./s1

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Names and synonyms

5 names
  • Propanamide, 2-amino-N-(4-nitrophenyl)-, hydrochloride (1:1), (2S)-
  • Propionanilide, 2-amino-4′-nitro-, monohydrochloride, L-
  • Propanamide, 2-amino-N-(4-nitrophenyl)-, monohydrochloride, (S)-
  • Propanamide, 2-amino-N-(4-nitrophenyl)-, monohydrochloride, (2S)-
  • L-Alanine-p-nitroanilide hydrochloride

Work with L-Alanine-4-nitroanilide hydrochloride

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

Leucine P-nitroanilide4178-93-266 % similar 4,4′-Dinitrocarbanilide587-90-652 % similar p-Nitrophenylhydrazine hydrochloride636-99-752 % similar (1S)-1-(4-Nitrophenyl)ethan-1-amine hydrochloride132873-57-551 % similar N-(4-Nitrophenyl)thiourea3696-22-848 % similar γ-Glutamyl-P-nitroanilide7300-59-647 % similar N-(4-Nitrophenyl)benzamide3393-96-246 % similar (4-Nitrophenyl)hydrazine100-16-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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