piperidin-3-ylmethanamine dihydrochloride

• ChemBase ID: 291688
• Molecular Formular: C6H16Cl2N2
• Molecular Mass: 187.11064
• Monoisotopic Mass: 186.06905388
• SMILES: NCC1CNCCC1.Cl.Cl
• Canonical SMILES: NCC1CCCNC1.Cl.Cl
• InChI: InChI=1S/C6H14N2.2ClH/c7-4-6-2-1-3-8-5-6;;/h6,8H,1-5,7H2;2*1H
• InChIKey: CRCRWYVOCMRVKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-3-ylmethanamine dihydrochloride; (piperidin-3-yl)methanamine dihydrochloride
• IUPAC Traditional name: piperidin-3-ylmethanamine dihydrochloride
• Synonyms: Piperidin-3-ylmethanamine dihydrochloride; 3-AMINOMETHYLPIPERIDINE DIHYDROCHLORIDE

Database IDs

• CAS Number: 127294-77-3; 71766-76-2
• MDL Number: MFCD04039795
• PubChem SID: 180677219
• PubChem CID: 44890848

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.300086
• LogD (pH = 7.4): -4.366531
• Log P: -0.4795432
• Molar Refractivity: 34.7944 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%