2-amino-2-cyclopropylacetonitrile hydrochloride

• ChemBase ID: 272400
• Molecular Formular: C5H9ClN2
• Molecular Mass: 132.59136
• Monoisotopic Mass: 132.04542598
• SMILES: C1(CC1)C(C#N)N.Cl
• Canonical SMILES: NC(C1CC1)C#N.Cl
• InChI: InChI=1S/C5H8N2.ClH/c6-3-5(7)4-1-2-4;/h4-5H,1-2,7H2;1H
• InChIKey: XJKSATAZLNMPPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-cyclopropylacetonitrile hydrochloride
• IUPAC Traditional name: 2-amino-2-cyclopropylacetonitrile hydrochloride
• Synonyms: 2-amino-2-cyclopropylacetonitrile hydrochloride

Database IDs

• MDL Number: MFCD18380675
• PubChem SID: 164328310
• PubChem CID: 18417020

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3719902
• LogD (pH = 7.4): -0.18628879
• Log P: -0.096993126
• Molar Refractivity: 26.67 cm^3
• Polarizability: 10.578656 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.629

Product Information

• Purity: 95%