1-methylpiperidin-3-amine

• ChemBase ID: 24587
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: N1(CC(N)CCC1)C
• Canonical SMILES: CN1CCCC(C1)N
• InChI: InChI=1S/C6H14N2/c1-8-4-2-3-6(7)5-8/h6H,2-5,7H2,1H3
• InChIKey: QZSACHHNFDNCNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylpiperidin-3-amine
• IUPAC Traditional name: 1-methylpiperidin-3-amine
• Synonyms: 1-Methylpiperidin-3-amine

Database IDs

• CAS Number: 42389-57-1
• MDL Number: MFCD08060122
• PubChem SID: 160987894
• PubChem CID: 3860971

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

• Hydrophobicity(logP): 0.254

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%