4-Phenylbenzylamine

C13H13NCAS 712-76-5183.25 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C13H13N
Molar mass
183.25 g/mol
Exact mass
183.1048 Da
logP
2.81Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
712-76-5
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CN
InChIKey
RMSPOVPGDBDYKH-UHFFFAOYSA-N
InChI
InChI=1S/C13H13N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10,14H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Phenylbenzylamine

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

Benzylamine100-46-970 % similar P-Xylylenediamine539-48-063 % similar Benzylammonium chloride3287-99-861 % similar 4-Phenoxybenzenemethanamine107622-80-058 % similar P-Benzylbiphenyl613-42-357 % similar para-Quaterphenyl135-70-653 % similar P-Quinquephenyl3073-05-053 % similar 1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-Sexiphenyl4499-83-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzylaniline103-32-2 4-Benzylaniline1135-12-2 3-Methyldiphenylamine1205-64-7 N-Methylbiphenyl-2-amine14925-09-8 2-Benzylaniline28059-64-5 N-Methyl-N-phenylbenzenamine552-82-9 4-Methyldiphenylamine620-84-8 5-Methyl-2-(4-methylphenyl)pyridine85237-71-4

Elsewhere

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