chempirical

Benzylaniline

C13H13NCAS 103-32-2183.25 g/mol

Open in Covalent MOL file
HN
Secondary amine

Properties

Molecular formula
C13H13N
Molar mass
183.25 g/mol
Exact mass
183.1048 Da
Density
1.0298 g/mL (at 65 °C)
Melting point
37.5 °C
Boiling point
306.5 °C
logP
3.30Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 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
103-32-2
SMILES
c1ccc(CNc2ccccc2)cc1
InChIKey
GTWJETSWSUWSEJ-UHFFFAOYSA-N
InChI
InChI=1S/C13H13N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10,14H,11H2

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Names and synonyms

13 names · show all
  • Benzenemethanamine, N-phenyl-
  • Benzylamine, N-phenyl-
  • N-Phenylbenzenemethanamine
  • N-Benzylaniline
  • Benzylphenylamine
  • Benzenamine, N-(phenylmethyl)-
  • Phenylbenzylamine
  • N-Phenylbenzylamine
  • N-Benzylbenzenamine
  • N-Benzyl-N-phenylamine
  • N-Phenyl-N-benzylamine
  • N-Benzylphenylamine
  • NSC 147284

Reactions

Work with Benzylaniline

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(Benzylamino)phenol103-14-068 % similar Dibenzylamine103-49-157 % similar N,N′-Diphenylethylenediamine150-61-857 % similar Benzathine140-28-352 % similar 2-(Phenylamino)acetonitrile3009-97-052 % similar N-Methylbenzylamine103-67-350 % similar N-Ethylaniline103-69-550 % similar N-Phenyl-2-pyridinemethanamine4329-81-150 % similar

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

Same formula

4-Benzylaniline1135-12-2 3-Methyldiphenylamine1205-64-7 2-Benzylaniline28059-64-5 N-Methyl-N-phenylbenzenamine552-82-9 4-Methyldiphenylamine620-84-8 5-Methyl-2-(4-methylphenyl)pyridine85237-71-4 Benzhydrylamine91-00-9

Elsewhere

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