2-amino-2-cyclopropylpropanenitrile

• ChemBase ID: 232484
• Molecular Formular: C6H10N2
• Molecular Mass: 110.157
• Monoisotopic Mass: 110.08439833
• SMILES: C1(C(C#N)(N)C)CC1
• Canonical SMILES: N#CC(C1CC1)(N)C
• InChI: InChI=1S/C6H10N2/c1-6(8,4-7)5-2-3-5/h5H,2-3,8H2,1H3
• InChIKey: VGFGZZVMDIZSTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 37024-73-0
• MDL Number: MFCD04621701
• PubChem SID: 164288394
• PubChem CID: 3791919

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1749687
• LogD (pH = 7.4): 0.1874164
• Log P: 0.33577275
• Molar Refractivity: 31.3833 cm^3
• Polarizability: 12.41968 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.32

Product Information

• Purity: 95%