chempirical

Benzylamine

C7H9NCAS 100-46-9107.16 g/mol

Open in Covalent MOL file
H2N
Primary amine

Properties

Molecular formula
C7H9N
Molar mass
107.16 g/mol
Exact mass
107.0735 Da
Density
0.983 g/mL (at 19 °C)
Melting point
10 °C
Boiling point
185 °C
pKa
9.33
Flash point
65 °C (closed cup)
Water solubility
miscible (20 °C)
logP
1.15Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number
100-46-9
SMILES
NCc1ccccc1
InChIKey
WGQKYBSKWIADBV-UHFFFAOYSA-N
InChI
InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2

Weigh it out

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

Names and synonyms

10 names
  • Benzenemethanamine
  • α-Aminotoluene
  • ω-Aminotoluene
  • Monobenzylamine
  • (Phenylmethyl)amine
  • (Aminomethyl)benzene
  • N-Benzylamine
  • NSC 8046
  • 1-Phenylmethanamine
  • Phenylmethanamine

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 100-46-9. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with Benzylamine

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.

Benzylammonium chloride3287-99-8Salt

Similar compounds

4-Phenylbenzylamine712-76-570 % similar P-Xylylenediamine539-48-069 % similar M-Xylylenediamine1477-55-063 % similar 4-Phenoxybenzenemethanamine107622-80-061 % similar Benzeneethanamine64-04-055 % similar 3-Methylbenzylamine100-81-254 % similar Bibenzyl103-29-753 % similar Benzenepropanamine2038-57-552 % similar

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

Same formula

3-Cyclohexene-1-carbonitrile100-45-8 N-Methylaniline100-61-8 2-Ethylpyridine100-71-0 4-Methylaniline106-49-0 M-Toluidine108-44-1 2,4-Lutidine108-47-4 2,6-Lutidine108-48-5 1-Cyclohexene-1-carbonitrile1855-63-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia