(1S)-1-(4-Nitrophenyl)ethan-1-amine hydrochloride

C₈H₁₁ClN₂O₂CAS 132873-57-5202.64 g/mol

Open in Covalent MOL file

Nitro Primary amine

Properties

Molecular formula: C₈H₁₁ClN₂O₂
Molar mass: 202.64 g/mol
Exact mass: 202.0509 Da
logP: 2.04Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

132873-57-5

SMILES

C[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])N.Cl

InChIKey

CZQQGVFHLSBEDV-RGMNGODLSA-N

InChI

InChI=1S/C8H10N2O2.ClH/c1-6(9)7-2-4-8(5-3-7)10(11)12;/h2-6H,9H2,1H3;1H/t6-;/m0./s1

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Names and synonyms

1 names

(S)-Alpha-methyl-4-nitrobenzylamine hydrochloride

Work with (1S)-1-(4-Nitrophenyl)ethan-1-amine 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

1-Isopropyl-4-nitrobenzene1817-47-659 % similar p-Nitrophenylhydrazine hydrochloride636-99-751 % similar L-Alanine-4-nitroanilide hydrochloride31796-55-151 % similar 1,4-Dinitrobenzene100-25-450 % similar p-Nitrobenzylamine hydrochloride18600-42-550 % similar 2-(4-Nitrophenyl)propionic acid19910-33-948 % similar 4-Nitrobenzamidine hydrochloride15723-90-746 % similar N-(4-Nitrophenethyl)-N-methylamine hydrochloride166943-39-146 % similar

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

Same formula

2-(4-Nitrophenyl)ethylamine hydrochloride29968-78-3

Elsewhere

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