(2-methylpropyl)({6-[(2-methylpropyl)amino]hexyl})amine

• ChemBase ID: 295662
• Molecular Formular: C14H32N2
• Molecular Mass: 228.41728
• Monoisotopic Mass: 228.25654903
• SMILES: CC(C)CNCCCCCCNCC(C)C
• Canonical SMILES: CC(CNCCCCCCNCC(C)C)C
• InChI: InChI=1S/C14H32N2/c1-13(2)11-15-9-7-5-6-8-10-16-12-14(3)4/h13-16H,5-12H2,1-4H3
• InChIKey: LTRQCWUIJWVNNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylpropyl)({6-[(2-methylpropyl)amino]hexyl})amine
• IUPAC Traditional name: (2-methylpropyl)({6-[(2-methylpropyl)amino]hexyl})amine
• Synonyms: N,N'-Diisobutyl-1,6-hexanediamine; N,N'-二异丁基-1,6-己二胺

Database IDs

• CAS Number: 16121-92-9
• MDL Number: MFCD00048339
• PubChem SID: 180681193
• PubChem CID: 177722

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.0800936
• LogD (pH = 7.4): -2.6968803
• Log P: 3.3977842
• Molar Refractivity: 73.6182 cm^3
• Polarizability: 29.634129 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%