3,3-dimethylpiperidine hydrochloride

• ChemBase ID: 15302
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: C1CCC(CN1)(C)C.Cl
• Canonical SMILES: CC1(C)CCCNC1.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-7(2)4-3-5-8-6-7;/h8H,3-6H2,1-2H3;1H
• InChIKey: BXFKQBZPFQBCCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dimethylpiperidine hydrochloride
• IUPAC Traditional name: 3,3-dimethylpiperidine hydrochloride
• Synonyms: 3,3-Dimethylpiperidine hydrochloride

Database IDs

• CAS Number: 27832-58-2
• MDL Number: MFCD00465824
• PubChem SID: 160978609
• PubChem CID: 18686627

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.831774
• LogD (pH = 7.4): -1.3931059
• Log P: 1.4004613
• Molar Refractivity: 35.7051 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 140-143°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%