(1-butylpiperidin-4-yl)methanamine hydrochloride

• ChemBase ID: 804074
• Molecular Formular: C10H23ClN2
• Molecular Mass: 206.75602
• Monoisotopic Mass: 206.15497643
• SMILES: Cl.C1(CCN(CC1)CCCC)CN
• Canonical SMILES: CCCCN1CCC(CC1)CN.Cl
• InChI: InChI=1S/C10H22N2.ClH/c1-2-3-6-12-7-4-10(9-11)5-8-12;/h10H,2-9,11H2,1H3;1H
• InChIKey: UBKNDCRHJUQHPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-butylpiperidin-4-yl)methanamine hydrochloride
• IUPAC Traditional name: (1-butylpiperidin-4-yl)methanamine hydrochloride
• Synonyms: 4-AMINOMETHYL-1-N-BUTYLPIPERIDINE HCL

Database IDs

• CAS Number: 1196152-72-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.2565665
• LogD (pH = 7.4): -3.7278132
• Log P: 1.185847
• Molar Refractivity: 54.0615 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%