2,4-dimethylpiperidine hydrochloride

• ChemBase ID: 69296
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: N1C(CC(CC1)C)C.Cl
• Canonical SMILES: CC1CCNC(C1)C.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-6-3-4-8-7(2)5-6;/h6-8H,3-5H2,1-2H3;1H
• InChIKey: ZNWYEICTMCDWMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethylpiperidine hydrochloride
• IUPAC Traditional name: 2,4-dimethylpiperidine hydrochloride
• Synonyms: 2,4-Dimethylpiperidine hydrochloride

Database IDs

• CAS Number: 91846-47-8
• MDL Number: MFCD10687193
• PubChem SID: 162035023
• PubChem CID: 53487126

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.872345
• LogD (pH = 7.4): -1.468274
• Log P: 1.3610818
• Molar Refractivity: 35.8028 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%