(1-methylpiperidin-4-yl)methanamine hydrochloride

• ChemBase ID: 39572
• Molecular Formular: C7H17ClN2
• Molecular Mass: 164.67628
• Monoisotopic Mass: 164.10802623
• SMILES: NCC1CCN(CC1)C.Cl
• Canonical SMILES: NCC1CCN(CC1)C.Cl
• InChI: InChI=1S/C7H16N2.ClH/c1-9-4-2-7(6-8)3-5-9;/h7H,2-6,8H2,1H3;1H
• InChIKey: XEFFFJHYAWLMRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methylpiperidin-4-yl)methanamine hydrochloride
• IUPAC Traditional name: (1-methylpiperidin-4-yl)methanamine hydrochloride
• Synonyms: [(1-Methylpiperidin-4-yl)methyl]amine hydrochloride

Database IDs

• CAS Number: 1187582-53-1
• MDL Number: MFCD12827683
• PubChem SID: 161002879
• PubChem CID: 46737474

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.5555763
• LogD (pH = 7.4): -4.8843756
• Log P: -0.13805199
• Molar Refractivity: 40.1879 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%