(3-aminopropoxy)cyclohexane

• ChemBase ID: 250017
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: NCCCOC1CCCCC1
• Canonical SMILES: NCCCOC1CCCCC1
• InChI: InChI=1S/C9H19NO/c10-7-4-8-11-9-5-2-1-3-6-9/h9H,1-8,10H2
• InChIKey: ZRXXYJYSVHQULF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropoxy)cyclohexane
• IUPAC Traditional name: (3-aminopropoxy)cyclohexane
• Synonyms: 3-(cyclohexyloxy)propan-1-amine; 3-(cyclohexyloxy)-1-propanamine

Database IDs

• CAS Number: 16728-63-5
• MDL Number: MFCD07339038
• PubChem SID: 164305927
• PubChem CID: 4962869

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8356639
• LogD (pH = 7.4): -1.3735949
• Log P: 1.186796
• Molar Refractivity: 46.8419 cm^3
• Polarizability: 18.799707 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 16 - 18°C
• Hydrophobicity(logP): 1.686

Product Information

• Purity: 95%