benzyl(2H3)methylamine

• ChemBase ID: 173365
• Molecular Formular: C8H11N
• Molecular Mass: 121.17964
• Monoisotopic Mass: 121.08914936
• SMILES: c1cccc(c1)CNC
• Canonical SMILES: CNCc1ccccc1
• InChI: InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
• InChIKey: RIWRFSMVIUAEBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(^2H₃)methylamine
• IUPAC Traditional name: benzyl(^2H₃)methylamine
• Synonyms: N-Methylbenzenemethanamine-d3; N-Methyl-N-(phenylmethyl)amine-d3; N-Methyl-N-benzylamine-d3; N-Benzylmethylamine-d3; N-Methyl-1-phenylmethanamine-d3; N-(Phenylmethyl)methylamine-d3; N-Benzyl-N-methylamine-d3; NSC 8059-d3; N-Methylbenzylamine-d3

Database IDs

• PubChem SID: 164229275
• PubChem CID: 56845859

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6647688
• LogD (pH = 7.4): -0.72088844
• Log P: 1.5315946
• Molar Refractivity: 39.306 cm^3
• Polarizability: 15.597321 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate
• Apperance: Light Yellow Liquid