2-(dimethylamino)-2-methylpropanenitrile

• ChemBase ID: 72263
• Molecular Formular: C6H12N2
• Molecular Mass: 112.17288
• Monoisotopic Mass: 112.10004839
• SMILES: N#CC(N(C)C)(C)C
• Canonical SMILES: CN(C(C#N)(C)C)C
• InChI: InChI=1S/C6H12N2/c1-6(2,5-7)8(3)4/h1-4H3
• InChIKey: RIDGSEGTBIWFTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-methylpropanenitrile
• IUPAC Traditional name: 2-(dimethylamino)-2-methylpropanenitrile
• Synonyms: 2-(Dimethylamino)-2-methylpropanenitrile

Database IDs

• MDL Number: MFCD10005348
• PubChem SID: 162037346
• PubChem CID: 10510831

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.12638406
• LogD (pH = 7.4): 0.71155626
• Log P: 0.72763175
• Molar Refractivity: 34.2592 cm^3
• Polarizability: 13.150498 Å^3
• Polar Surface Area: 27.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.184

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: 95%