[(dimethylamino)(phenyl)methyl]dimethylamine

• ChemBase ID: 253097
• Molecular Formular: C11H18N2
• Molecular Mass: 178.27402
• Monoisotopic Mass: 178.14699859
• SMILES: C(N(C)C)(N(C)C)c1ccccc1
• Canonical SMILES: CN(C(c1ccccc1)N(C)C)C
• InChI: InChI=1S/C11H18N2/c1-12(2)11(13(3)4)10-8-6-5-7-9-10/h5-9,11H,1-4H3
• InChIKey: AWQIHVZFQSNHCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(dimethylamino)(phenyl)methyl]dimethylamine
• IUPAC Traditional name: [(dimethylamino)(phenyl)methyl]dimethylamine
• Synonyms: N,N,N,N-tetramethyl-1-phenylmethanediamine

Database IDs

• CAS Number: 13880-55-2
• MDL Number: MFCD00956639
• PubChem SID: 164309007
• PubChem CID: 584143

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.463035
• LogD (pH = 7.4): 2.0124269
• Log P: 2.2591653
• Molar Refractivity: 57.3574 cm^3
• Polarizability: 22.647966 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.208

Product Information

• Purity: 95%