4-(aminomethyl)-N,N-dimethylaniline

• ChemBase ID: 10528
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: c1c(ccc(c1)N(C)C)CN
• Canonical SMILES: NCc1ccc(cc1)N(C)C
• InChI: InChI=1S/C9H14N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,7,10H2,1-2H3
• InChIKey: PDJZOFLRRJQYBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)-N,N-dimethylaniline
• IUPAC Traditional name: 4-(aminomethyl)-N,N-dimethylaniline
• Synonyms: 4-(Dimethylamino)benzylamine, [4-(Dimethylamino)phenyl]methylamine; 4-(Aminomethyl)-N,N-dimethylaniline; N-[4-(aminomethyl)phenyl]-N,N-dimethylamine; 4-(Dimethylamino)benzylamine; 4-DIMETHYLAMINOBENZYLAMINE

Database IDs

• CAS Number: 19293-58-4
• MDL Number: MFCD00466364
• PubChem SID: 160973835
• PubChem CID: 80826

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8420036
• LogD (pH = 7.4): -0.95984447
• Log P: 1.2070581
• Molar Refractivity: 48.96 cm^3
• Polarizability: 18.54865 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 228 - 232°C
• Boiling Point: 150°C/1mm; 82-84°C/0.8mm
• Hydrophobicity(logP): 1.259

Safety Information

• Storage Warning: Corrosive/Air Sensitive/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%