2-amino-2,3,3-trimethylbutanenitrile

• ChemBase ID: 247240
• Molecular Formular: C7H14N2
• Molecular Mass: 126.19946
• Monoisotopic Mass: 126.11569846
• SMILES: N#CC(C(C)(C)C)(N)C
• Canonical SMILES: N#CC(C(C)(C)C)(N)C
• InChI: InChI=1S/C7H14N2/c1-6(2,3)7(4,9)5-8/h9H2,1-4H3
• InChIKey: RYHBMXCSCBXLJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2,3,3-trimethylbutanenitrile
• IUPAC Traditional name: 2-amino-2,3,3-trimethylbutanenitrile
• Synonyms: 2-amino-2,3,3-trimethylbutanenitrile

Database IDs

• PubChem SID: 164303150
• PubChem CID: 15683375

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.089743786
• LogD (pH = 7.4): 1.0897394
• Log P: 1.1774995
• Molar Refractivity: 37.5836 cm^3
• Polarizability: 14.99472 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.563

Product Information

• Purity: 95%