(3-Nitrobenzyl)methylamine

C₈H₁₀N₂O₂CAS 19499-61-7166.18 g/mol

Open in Covalent MOL file

Nitro Secondary amine

Properties

Molecular formula: C₈H₁₀N₂O₂
Molar mass: 166.18 g/mol
Exact mass: 166.0742 Da
logP: 1.31Crippen estimate
Polar surface area: 55.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

19499-61-7

SMILES

CNCC1=CC(=CC=C1)[N+](=O)[O-]

InChIKey

NTPAPKLGADEFAM-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

N-Methyl-1-(3-nitrophenyl)methanamine

Work with (3-Nitrobenzyl)methylamine

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

3-Nitrobenzyl alcohol619-25-064 % similar 3-Nitrobenzyl bromide3958-57-459 % similar 3-Nitrobenzyl chloride619-23-859 % similar 1,3-Dinitrobenzene99-65-056 % similar 3-Nitrobenzylamine monohydrochloride26177-43-555 % similar (3-Nitrophenyl)acetonitrile621-50-155 % similar 3-Nitrophenylacetic acid1877-73-252 % similar 3-Nitrotoluene99-08-151 % similar

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

Same formula

N,N-Dimethyl-4-nitroaniline100-23-2 2,3-Diaminobenzoic acid methyl ester107582-20-7 Ethyl 2-aminopyridine-3-carboxylate13362-26-0 Ethyl 2-aminopyridine-4-carboxylate13362-30-6 Ethyl 3-aminoisonicotinate14208-83-4 2,4-Dimethyl-6-nitroaniline1635-84-3 Beta-(2-pyridyl)-dl-alanine17407-39-5 3-Amino-4-methoxybenzamide17481-27-5

Elsewhere

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