4-methoxycyclohexan-1-amine

• ChemBase ID: 288165
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: COC1CCC(N)CC1
• Canonical SMILES: COC1CCC(CC1)N
• InChI: InChI=1S/C7H15NO/c1-9-7-4-2-6(8)3-5-7/h6-7H,2-5,8H2,1H3
• InChIKey: SDMXLAZIFYYECU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxycyclohexan-1-amine
• IUPAC Traditional name: 4-methoxycyclohexan-1-amine
• Synonyms: 4-Methoxycyclohexanamine

Database IDs

• CAS Number: 4342-46-5
• MDL Number: MFCD17011799
• PubChem SID: 180673696
• PubChem CID: 409910

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5976646
• LogD (pH = 7.4): -2.3101885
• Log P: 0.43021965
• Molar Refractivity: 37.3537 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%