methyl[12-(methylamino)dodecyl]amine

• ChemBase ID: 74295
• Molecular Formular: C14H32N2
• Molecular Mass: 228.41728
• Monoisotopic Mass: 228.25654903
• SMILES: N(CCCCCCCCCCCCNC)C
• Canonical SMILES: CNCCCCCCCCCCCCNC
• InChI: InChI=1S/C14H32N2/c1-15-13-11-9-7-5-3-4-6-8-10-12-14-16-2/h15-16H,3-14H2,1-2H3
• InChIKey: WFAFNKFCDOBGST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[12-(methylamino)dodecyl]amine
• IUPAC Traditional name: methyl[12-(methylamino)dodecyl]amine
• Synonyms: N,N'-Dimethyl-1,12-diaminododecane 97%

Database IDs

• MDL Number: MFCD03095638
• PubChem SID: 162039214
• PubChem CID: 12715324

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8938828
• LogD (pH = 7.4): -2.2031312
• Log P: 3.5765898
• Molar Refractivity: 73.7358 cm^3
• Polarizability: 29.634129 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 118-121°C

Safety Information

• Storage Warning: Irritant