2-methyl-2-(methylamino)propanenitrile

• ChemBase ID: 236134
• Molecular Formular: C5H10N2
• Molecular Mass: 98.1463
• Monoisotopic Mass: 98.08439833
• SMILES: N#CC(NC)(C)C
• Canonical SMILES: CNC(C#N)(C)C
• InChI: InChI=1S/C5H10N2/c1-5(2,4-6)7-3/h7H,1-3H3
• InChIKey: NKQVYJRZBVRXRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(methylamino)propanenitrile
• IUPAC Traditional name: 2-methyl-2-(methylamino)propanenitrile
• Synonyms: 2-methyl-2-(methylamino)propanenitrile

Database IDs

• CAS Number: 2273-39-4
• MDL Number: MFCD03208517
• PubChem SID: 164292044
• PubChem CID: 2530251

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.24975143
• LogD (pH = 7.4): 0.32882968
• Log P: 0.34458384
• Molar Refractivity: 28.9645 cm^3
• Polarizability: 11.307113 Å^3
• Polar Surface Area: 35.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.423

Product Information

• Purity: 95%