3-(dimethylamino)-2-methylprop-2-enenitrile

• ChemBase ID: 237010
• Molecular Formular: C6H10N2
• Molecular Mass: 110.157
• Monoisotopic Mass: 110.08439833
• SMILES: N#C/C(=C/N(C)C)/C
• Canonical SMILES: CN(/C=C(/C#N)\C)C
• InChI: InChI=1S/C6H10N2/c1-6(4-7)5-8(2)3/h5H,1-3H3
• InChIKey: HNUFCYBYFMHKEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethylamino)-2-methylprop-2-enenitrile
• IUPAC Traditional name: 3-(dimethylamino)-2-methylprop-2-enenitrile
• Synonyms: 3-(dimethylamino)-2-methylprop-2-enenitrile

Database IDs

• MDL Number: MFCD22578436
• PubChem SID: 164292920
• PubChem CID: 21765875

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.67053974
• LogD (pH = 7.4): 0.740184
• Log P: 0.7411483
• Molar Refractivity: 34.3323 cm^3
• Polarizability: 12.51632 Å^3
• Polar Surface Area: 27.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.708

Product Information

• Purity: 95%