(4-methoxycyclohexyl)methanamine

• ChemBase ID: 235177
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: NCC1CCC(CC1)OC
• Canonical SMILES: NCC1CCC(CC1)OC
• InChI: InChI=1S/C8H17NO/c1-10-8-4-2-7(6-9)3-5-8/h7-8H,2-6,9H2,1H3
• InChIKey: VBAPKBJGWWZEDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxycyclohexyl)methanamine
• IUPAC Traditional name: (4-methoxycyclohexyl)methanamine
• Synonyms: (4-methoxycyclohexyl)methanamine

Database IDs

• MDL Number: MFCD19205837
• PubChem SID: 164291087
• PubChem CID: 55281686

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2790554
• LogD (pH = 7.4): -1.8680898
• Log P: 0.7452324
• Molar Refractivity: 42.0845 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.615

Product Information

• Purity: 95%