2-amino-2-methylpropanedinitrile

• ChemBase ID: 278841
• Molecular Formular: C4H5N3
• Molecular Mass: 95.1026
• Monoisotopic Mass: 95.04834718
• SMILES: C(C#N)(C#N)(N)C
• Canonical SMILES: N#CC(C#N)(N)C
• InChI: InChI=1S/C4H5N3/c1-4(7,2-5)3-6/h7H2,1H3
• InChIKey: YKJYXLWYYJUAFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-methylpropanedinitrile
• IUPAC Traditional name: 2-amino-2-methylpropanedinitrile
• Synonyms: 2-amino-2-methylpropanedinitrile

Database IDs

• MDL Number: MFCD19204715
• PubChem SID: 164334751
• PubChem CID: 556684

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.606924
• LogD (pH = 7.4): -0.6045246
• Log P: -0.6044939
• Molar Refractivity: 24.6554 cm^3
• Polarizability: 9.332928 Å^3
• Polar Surface Area: 73.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.011

Product Information

• Purity: 95%