4-methylpiperidin-4-amine dihydrochloride

• ChemBase ID: 292915
• Molecular Formular: C6H16Cl2N2
• Molecular Mass: 187.11064
• Monoisotopic Mass: 186.06905388
• SMILES: Cl.Cl.CC1(N)CCNCC1
• Canonical SMILES: CC1(N)CCNCC1.Cl.Cl
• InChI: InChI=1S/C6H14N2.2ClH/c1-6(7)2-4-8-5-3-6;;/h8H,2-5,7H2,1H3;2*1H
• InChIKey: LLZTYVDALMFSFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpiperidin-4-amine dihydrochloride
• IUPAC Traditional name: 4-methylpiperidin-4-amine dihydrochloride
• Synonyms: 4-Methylpiperidin-4-amine dihydrochloride

Database IDs

• CAS Number: 483366-98-9
• PubChem SID: 180678446
• PubChem CID: 21090444

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.707719
• LogD (pH = 7.4): -4.9777617
• Log P: -0.701124
• Molar Refractivity: 34.7134 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%