(2-aminocyclopentyl)methanol

• ChemBase ID: 274135
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C1(C(N)CCC1)CO
• Canonical SMILES: OCC1CCCC1N
• InChI: InChI=1S/C6H13NO/c7-6-3-1-2-5(6)4-8/h5-6,8H,1-4,7H2
• InChIKey: JFLVVCGMJYMWML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminocyclopentyl)methanol
• IUPAC Traditional name: (2-aminocyclopentyl)methanol
• Synonyms: (2-aminocyclopentyl)methanol; CIS-(2-AMINO-CYCLOPENTYL)-METHANOL

Database IDs

• CAS Number: 40482-12-0
• MDL Number: MFCD17015374
• PubChem SID: 164330045
• PubChem CID: 13514419

CALCULATED PROPERTIES

• Acid pKa: 15.423369
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.323058
• LogD (pH = 7.4): -2.8529637
• Log P: -0.30090606
• Molar Refractivity: 32.6335 cm^3
• Polarizability: 13.196873 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.024

Product Information

• Purity: 95%; 98%