[1-(aminomethyl)cyclopentyl]methanol

• ChemBase ID: 38110
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1CCC(C1)(CO)CN
• Canonical SMILES: NCC1(CO)CCCC1
• InChI: InChI=1S/C7H15NO/c8-5-7(6-9)3-1-2-4-7/h9H,1-6,8H2
• InChIKey: WUROIEARWDBJIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(aminomethyl)cyclopentyl]methanol
• IUPAC Traditional name: [1-(aminomethyl)cyclopentyl]methanol
• Synonyms: [1-(Aminomethyl)cyclopentyl]methanol

Database IDs

• CAS Number: 2239-31-8
• MDL Number: MFCD09864390
• PubChem SID: 161001417
• PubChem CID: 22379517

CALCULATED PROPERTIES

• Acid pKa: 15.072175
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8506048
• LogD (pH = 7.4): -1.9464872
• Log P: 0.14148544
• Molar Refractivity: 37.2356 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false