hexan-3-amine

• ChemBase ID: 106810
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: CCCC(N)CC
• Canonical SMILES: CCCC(CC)N
• InChI: InChI=1S/C6H15N/c1-3-5-6(7)4-2/h6H,3-5,7H2,1-2H3
• InChIKey: HQLZFBUAULNEGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexan-3-amine
• IUPAC Traditional name: hexan-3-amine
• Synonyms: 3-AMINOHEXANE; (1-ethylbutyl)amine

Database IDs

• CAS Number: 16751-58-9
• MDL Number: MFCD00047922
• PubChem SID: 162089046
• PubChem CID: 86062

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3905135
• LogD (pH = 7.4): -1.1097457
• Log P: 1.6375376
• Molar Refractivity: 32.7352 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05201495

MP Biomedicals Rare Chemical collection