(6-aminohexyl)dimethylamine

• ChemBase ID: 10705
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: N(CCCCCCN)(C)C
• Canonical SMILES: NCCCCCCN(C)C
• InChI: InChI=1S/C8H20N2/c1-10(2)8-6-4-3-5-7-9/h3-9H2,1-2H3
• InChIKey: ZUXUNWLVIWKEHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-aminohexyl)dimethylamine
• IUPAC Traditional name: (6-aminohexyl)dimethylamine
• Synonyms: N1,N1-DiMethylhexane-1,6-diaMine; 6-(Dimethylamino)hexylamine

Database IDs

• CAS Number: 13093-04-4; 1938-58-5
• MDL Number: MFCD00047980
• PubChem SID: 160974012
• PubChem CID: 258544

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.6003323
• LogD (pH = 7.4): -4.104243
• Log P: 0.8596454
• Molar Refractivity: 46.6499 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 73°C/ 3mm

Safety Information

• Storage Warning: CORROSIVE
• TSCA Listed: false

Product Information

• Purity: 97%