4-(aminomethyl)octane

• ChemBase ID: 236531
• Molecular Formular: C9H21N
• Molecular Mass: 143.26974
• Monoisotopic Mass: 143.16739968
• SMILES: NCC(CCC)CCCC
• Canonical SMILES: CCCCC(CCC)CN
• InChI: InChI=1S/C9H21N/c1-3-5-7-9(8-10)6-4-2/h9H,3-8,10H2,1-2H3
• InChIKey: CUEUXLBCXLPVSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)octane
• IUPAC Traditional name: 4-(aminomethyl)octane
• Synonyms: 4-(aminomethyl)octane

Database IDs

• MDL Number: MFCD16781415
• PubChem SID: 164292441
• PubChem CID: 14416531

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.18260202
• LogD (pH = 7.4): 0.22830337
• Log P: 2.8416877
• Molar Refractivity: 46.668 cm^3
• Polarizability: 18.883202 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.438

Product Information

• Purity: 95%