(4-aminobutyl)(methyl)(propan-2-yl)amine

• ChemBase ID: 264532
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: N(C(C)C)(CCCCN)C
• Canonical SMILES: NCCCCN(C(C)C)C
• InChI: InChI=1S/C8H20N2/c1-8(2)10(3)7-5-4-6-9/h8H,4-7,9H2,1-3H3
• InChIKey: BBEOCWDIZZEPIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-aminobutyl)(methyl)(propan-2-yl)amine
• IUPAC Traditional name: (4-aminobutyl)(isopropyl)methylamine
• Synonyms: (4-aminobutyl)(methyl)propan-2-ylamine

Database IDs

• MDL Number: MFCD09803867
• PubChem SID: 164320442
• PubChem CID: 16748474

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.7611036
• LogD (pH = 7.4): -4.6807942
• Log P: 0.74389106
• Molar Refractivity: 46.6153 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75 - 77°C
• Hydrophobicity(logP): 0.556

Product Information

• Purity: 95%