1-methylpiperidin-3-amine dihydrochloride

• ChemBase ID: 63303
• Molecular Formular: C6H16Cl2N2
• Molecular Mass: 187.11064
• Monoisotopic Mass: 186.06905388
• SMILES: Cl.N1(C)CCCC(N)C1.Cl
• Canonical SMILES: CN1CCCC(C1)N.Cl.Cl
• InChI: InChI=1S/C6H14N2.2ClH/c1-8-4-2-3-6(7)5-8;;/h6H,2-5,7H2,1H3;2*1H
• InChIKey: LUOGVMPUQUBQTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylpiperidin-3-amine dihydrochloride
• IUPAC Traditional name: 1-methylpiperidin-3-amine dihydrochloride
• Synonyms: 3-Amino-1-methylpiperidine dihydrochloride; 1-Methylpiperidin-3-amine dihydrochloride; 1-Methylpiperidin-3-amine dihydrochloride

Database IDs

• CAS Number: 894808-73-2
• MDL Number: MFCD06796280
• PubChem SID: 162029042
• PubChem CID: 17750342

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.8835373
• LogD (pH = 7.4): -2.6663918
• Log P: -0.1412498
• Molar Refractivity: 35.1491 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 236-238°C

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%