4-(4-Pyridylmethyl)aniline

C₁₂H₁₂N₂CAS 27692-74-6184.24 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₁₂H₁₂N₂
Molar mass: 184.24 g/mol
Exact mass: 184.1000 Da
logP: 2.25Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

27692-74-6

SMILES

C1=CC(=CC=C1CC2=CC=NC=C2)N

InChIKey

WZXYYQHVDJMIFF-UHFFFAOYSA-N

InChI

InChI=1S/C12H12N2/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8H,9,13H2

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Names and synonyms

1 names

4-[(Pyridin-4-yl)methyl]aniline

Work with 4-(4-Pyridylmethyl)aniline

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

4,4′-Methylenedianiline101-77-971 % similar 4-Benzylaniline1135-12-260 % similar 4-Benzylpyridine2116-65-656 % similar Benzenamine, 4-(phenylmethyl)-, hydrochloride (1:1)6317-57-354 % similar 4,4′-Ethylenedianiline621-95-452 % similar 3,4'-Diaminodiphenylmethane19430-83-252 % similar 2-(4-Aminophenyl)ethanol104-10-948 % similar 4-Pyridinemethanamine3731-53-146 % similar

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

Same formula

4-Aminodiphenylamine101-54-2 4,4′-Dimethyl-2,2′-bipyridine1134-35-6 Hydrazobenzene122-66-7 5,5′-Dimethyl-2,2′-bipyridine1762-34-1 4-tert-Butylphthalonitrile32703-80-3 N-Phenyl-2-pyridinemethanamine4329-81-1 6,6′-Dimethyl-2,2′-bipyridine4411-80-7 1,2-Bis(4-pyridyl)ethane4916-57-8

Elsewhere

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