chempirical

Benzhydrylamine

C13H13NCAS 91-00-9183.25 g/mol

Open in Covalent MOL file
H2N
Primary amine

Properties

Molecular formula
C13H13N
Molar mass
183.25 g/mol
Exact mass
183.1048 Da
Density
1.06 g/mL
Melting point
34 °C
Boiling point
304 °C
logP
2.73Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 52 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
91-00-9
SMILES
NC(c1ccccc1)c1ccccc1
InChIKey
MGHPNCMVUAKAIE-UHFFFAOYSA-N
InChI
InChI=1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2

Weigh it out

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

Names and synonyms

13 names · show all
  • Benzenemethanamine, α-phenyl-
  • Methylamine, 1,1-diphenyl-
  • α-Phenylbenzenemethanamine
  • α-Aminodiphenylmethane
  • 1,1-Diphenylmethylamine
  • α-Phenylbenzylamine
  • Methanamine, 1,1-diphenyl-
  • Aminodiphenylmethane
  • (Diphenylmethyl)amine
  • 1-Amino-1-(phenylmethyl)benzene
  • NSC 49127
  • 1,1-Diphenylmethanamine
  • Diphenylmethamine

Work with Benzhydrylamine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Benzhydrylammonium chloride5267-34-5Salt

Similar compounds

4-Chlorobenzhydrylamine hydrochloride5267-39-060 % similar Rel-(1R,2R)-1,2-Diphenyl-1,2-ethanediamine16635-95-358 % similar (1S,2S)-1,2-Diphenylethane-1,2-diamine29841-69-858 % similar Diphenylethylenediamine35132-20-858 % similar (S)-α-Phenethylamine2627-86-350 % similar (R)-α-Phenethylamine3886-69-950 % similar Triphenylmethane519-73-350 % similar 1-Phenethylamine618-36-050 % 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 4-Phenylbenzylamine712-76-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook