Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1)

C₁₀H₁₅ClN₂O₂CAS 68133-98-2230.69 g/mol

Open in Covalent MOL file

Nitro Secondary amine

Properties

Molecular formula: C₁₀H₁₅ClN₂O₂
Molar mass: 230.69 g/mol
Exact mass: 230.0822 Da
logP: 2.52Crippen estimate
Polar surface area: 55.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Identifiers

CAS number

68133-98-2

SMILES

CCCNCc1ccc([N+](=O)[O-])cc1.Cl

InChIKey

LWISLZIFEARHJI-UHFFFAOYSA-N

InChI

InChI=1S/C10H14N2O2.ClH/c1-2-7-11-8-9-3-5-10(6-4-9)12(13)14;/h3-6,11H,2,7-8H2,1H3;1H

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Names and synonyms

1 names

Benzenemethanamine, 4-nitro-N-propyl-, monohydrochloride

Work with Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1)

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

N-(4-Nitrophenethyl)-N-methylamine hydrochloride166943-39-160 % similar 1-Ethyl-4-nitrobenzene100-12-953 % similar p-Nitrobenzylamine hydrochloride18600-42-553 % similar 2-(4-Nitrophenyl)ethylamine hydrochloride29968-78-351 % similar O-(p-Nitrobenzyl)hydroxylamine hydrochloride2086-26-249 % similar 1,2,3,4-Tetrahydro-7-nitroisoquinoline42923-79-548 % similar p-Nitrophenylhydrazine hydrochloride636-99-746 % similar 4-Nitrophenylacetonitrile555-21-545 % similar

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

Elsewhere

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