(1-methylpiperidin-3-yl)methanamine hydrochloride

• ChemBase ID: 806722
• Molecular Formular: C7H17ClN2
• Molecular Mass: 164.67628
• Monoisotopic Mass: 164.10802623
• SMILES: Cl.C(N)C1CCCN(C1)C
• Canonical SMILES: NCC1CCCN(C1)C.Cl
• InChI: InChI=1S/C7H16N2.ClH/c1-9-4-2-3-7(5-8)6-9;/h7H,2-6,8H2,1H3;1H
• InChIKey: ANSAZPLLFNKBOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methylpiperidin-3-yl)methanamine hydrochloride
• IUPAC Traditional name: (1-methylpiperidin-3-yl)methanamine hydrochloride
• Synonyms: (1-METHYLPIPERIDIN-3-YL)METHANAMINE HCL

Database IDs

• CAS Number: 14613-37-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.142563
• LogD (pH = 7.4): -4.049159
• Log P: -0.09649526
• Molar Refractivity: 40.0891 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%