3,3-dimethylpiperidine

• ChemBase ID: 15301
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: N1CC(C)(C)CCC1
• Canonical SMILES: CC1(C)CCCNC1
• InChI: InChI=1S/C7H15N/c1-7(2)4-3-5-8-6-7/h8H,3-6H2,1-2H3
• InChIKey: CDODDZJCEADUQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dimethylpiperidine
• IUPAC Traditional name: 3,3-dimethylpiperidine
• Synonyms: 3,3-Dimethylpiperidine; 3,3-Dimethylpiperidine; 3,3-二甲基哌啶

Database IDs

• CAS Number: 1193-12-0
• EC Number: 214-767-6
• MDL Number: MFCD00005995
• PubChem SID: 160978608
• PubChem CID: 70942

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

• Boiling Point: 134-136°C; 134-136°C
• Flash Point: 26°C(79°F)
• Density: 0.81
• Refractive Index: 1.4475
• Hydrophobicity(logP): 1.973

Safety Information

• Storage Warning: Air Sensitive; IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2733
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-34
• Safety Statements: 16-26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H314-H318-H226
• GHS Precautionary statements: P210-P280-P303+P361+P353-P305+P351+P338-P310

Product Information

• Purity: 95%