N,N-dimethylpiperidin-3-amine

• ChemBase ID: 90084
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1CC(CCC1)N(C)C
• Canonical SMILES: CN(C1CCCNC1)C
• InChI: InChI=1S/C7H16N2/c1-9(2)7-4-3-5-8-6-7/h7-8H,3-6H2,1-2H3
• InChIKey: NMGVIZJUIPNHLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylpiperidin-3-amine
• IUPAC Traditional name: N,N-dimethylpiperidin-3-amine
• Synonyms: N,N-dimethylpiperidin-3-amine; N,N-Dimethylpiperidin-3-amine; 3-(Dimethylamino)piperidine 98+%

Database IDs

• CAS Number: 50534-49-1
• MDL Number: MFCD06796405
• PubChem SID: 162076939
• PubChem CID: 14459854

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.3872447
• LogD (pH = 7.4): -2.3184566
• Log P: 0.29133058
• Molar Refractivity: 39.9237 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 58°C/6.75mm
• Hydrophobicity(logP): 0.582

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 95%