4-(tert-butoxy)cyclohexan-1-amine

• ChemBase ID: 799575
• Molecular Formular: C10H21NO
• Molecular Mass: 171.27984
• Monoisotopic Mass: 171.1623143
• SMILES: C1(CCC(CC1)OC(C)(C)C)N
• Canonical SMILES: NC1CCC(CC1)OC(C)(C)C
• InChI: InChI=1S/C10H21NO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h8-9H,4-7,11H2,1-3H3
• InChIKey: IJCTXLVZPMAIJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(tert-butoxy)cyclohexan-1-amine
• IUPAC Traditional name: 4-(tert-butoxy)cyclohexan-1-amine
• Synonyms: 4-tert-butoxycyclohexanamine

Database IDs

• CAS Number: 951625-97-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.543705
• LogD (pH = 7.4): -1.2562286
• Log P: 1.4841793
• Molar Refractivity: 51.1593 cm^3
• Polarizability: 20.644295 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%