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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 1,2-Bis(4-nitrophenyl)ethane736-30-150 % similar O-(p-Nitrobenzyl)hydroxylamine hydrochloride2086-26-249 % similar 1,2,3,4-Tetrahydro-7-nitroisoquinoline42923-79-548 % similar Benzenemethanol, -[[[2-(4-nitrophenyl)ethyl]amino]methyl]-, (R)-521284-21-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzyl N-(2-aminoethyl)carbamate hydrochloride18807-71-1

Elsewhere

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