2-(chloromethyl)-1-methylpiperidine hydrochloride

• ChemBase ID: 55066
• Molecular Formular: C7H15Cl2N
• Molecular Mass: 184.1067
• Monoisotopic Mass: 183.05815485
• SMILES: C1CN(C(CC1)CCl)C.Cl
• Canonical SMILES: ClCC1CCCCN1C.Cl
• InChI: InChI=1S/C7H14ClN.ClH/c1-9-5-3-2-4-7(9)6-8;/h7H,2-6H2,1H3;1H
• InChIKey: AZZOFXGSQFRBCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-1-methylpiperidine hydrochloride
• IUPAC Traditional name: 2-(chloromethyl)-1-methylpiperidine hydrochloride
• Synonyms: 2-(Chloromethyl)-1-methylpiperidine hydrochloride; 2-(Chloromethyl)-1-methylpiperidine hydrochloride; 2-Chloromethyl-1-methylpiperidine hydrochloride

Database IDs

• CAS Number: 27483-92-7
• MDL Number: MFCD09800596
• PubChem SID: 162059829
• PubChem CID: 12644392

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.0574639
• LogD (pH = 7.4): 0.70332235
• Log P: 1.7647926
• Molar Refractivity: 41.1436 cm^3
• Polarizability: 16.235746 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%
• Empirical Formula (Hill Notation): C7H15Cl2N

DETAILS

Sigma Aldrich - CBR00922

Other Notes
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Legal Information
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