1-cyclohexylpropan-2-amine

• ChemBase ID: 289100
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: CC(N)CC1CCCCC1
• Canonical SMILES: CC(CC1CCCCC1)N
• InChI: InChI=1S/C9H19N/c1-8(10)7-9-5-3-2-4-6-9/h8-9H,2-7,10H2,1H3
• InChIKey: GIXSTBOIKJPUKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexylpropan-2-amine
• IUPAC Traditional name: 1-cyclohexylpropan-2-amine
• Synonyms: 1-Cyclohexylpropan-2-amine

Database IDs

• CAS Number: 54704-34-6
• MDL Number: MFCD08452589
• PubChem SID: 180674631
• PubChem CID: 115665

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7555434
• LogD (pH = 7.4): -0.45523572
• Log P: 2.2720144
• Molar Refractivity: 44.7606 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%