cyclopentylmethanamine hydrate

• ChemBase ID: 266097
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: NCC1CCCC1.O
• Canonical SMILES: NCC1CCCC1.O
• InChI: InChI=1S/C6H13N.H2O/c7-5-6-3-1-2-4-6;/h6H,1-5,7H2;1H2
• InChIKey: KHGSKAQOROIXPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentylmethanamine hydrate
• IUPAC Traditional name: cyclopentylmethanamine hydrate
• Synonyms: cyclopentylmethanamine hydrate

Database IDs

• MDL Number: MFCD15209583
• PubChem SID: 164322007
• PubChem CID: 47002582

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9800338
• LogD (pH = 7.4): -1.5691254
• Log P: 1.0442557
• Molar Refractivity: 31.0628 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.427

Product Information

• Purity: 95%