N,N-dimethyl-4-[(methylamino)methyl]aniline

• ChemBase ID: 90801
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: N(Cc1ccc(cc1)N(C)C)C
• Canonical SMILES: CNCc1ccc(cc1)N(C)C
• InChI: InChI=1S/C10H16N2/c1-11-8-9-4-6-10(7-5-9)12(2)3/h4-7,11H,8H2,1-3H3
• InChIKey: DUIPUNLJRBPNMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-[(methylamino)methyl]aniline
• IUPAC Traditional name: N,N-dimethyl-4-[(methylamino)methyl]aniline
• Synonyms: (4-Dimethylaminobenzyl)methylamine; N,N-Dimethyl-4-[(methylamino)methyl]aniline 95%; N,N-dimethyl-4-[(methylamino)methyl]aniline

Database IDs

• CAS Number: 83671-43-6
• MDL Number: MFCD04600269
• PubChem SID: 162077532
• PubChem CID: 964742

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6041701
• LogD (pH = 7.4): -0.71506107
• Log P: 1.6396385
• Molar Refractivity: 53.7346 cm^3
• Polarizability: 20.395489 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.675

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 95%