2-amino-2-cyclopentylacetonitrile hydrochloride

• ChemBase ID: 286584
• Molecular Formular: C7H13ClN2
• Molecular Mass: 160.64452
• Monoisotopic Mass: 160.07672611
• SMILES: N#CC(C1CCCC1)N.Cl
• Canonical SMILES: NC(C1CCCC1)C#N.Cl
• InChI: InChI=1S/C7H12N2.ClH/c8-5-7(9)6-3-1-2-4-6;/h6-7H,1-4,9H2;1H
• InChIKey: LCKAQWQCIZTPDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22370012
• PubChem SID: 180672115
• PubChem CID: 73994899

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.482863
• LogD (pH = 7.4): 0.7028465
• Log P: 0.7921442
• Molar Refractivity: 35.872 cm^3
• Polarizability: 14.26212 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.489

Product Information

• Purity: 95%