3-hydrazinyl-2-methylpropanenitrile

• ChemBase ID: 256524
• Molecular Formular: C4H9N3
• Molecular Mass: 99.13436
• Monoisotopic Mass: 99.0796473
• SMILES: N#CC(CNN)C
• Canonical SMILES: CC(C#N)CNN
• InChI: InChI=1S/C4H9N3/c1-4(2-5)3-7-6/h4,7H,3,6H2,1H3
• InChIKey: FDEPXCBPWPUHGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinyl-2-methylpropanenitrile
• IUPAC Traditional name: 3-hydrazinyl-2-methylpropanenitrile
• Synonyms: 3-hydrazinyl-2-methylpropanenitrile

Database IDs

• MDL Number: MFCD22053192
• PubChem SID: 164312434
• PubChem CID: 15557916

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.5756149
• LogD (pH = 7.4): -0.49530938
• Log P: -0.4941831
• Molar Refractivity: 39.2335 cm^3
• Polarizability: 10.795051 Å^3
• Polar Surface Area: 61.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.008

Product Information

• Purity: 95%