2-amino-2-methylbutanenitrile hydrochloride

• ChemBase ID: 259487
• Molecular Formular: C5H11ClN2
• Molecular Mass: 134.60724
• Monoisotopic Mass: 134.06107604
• SMILES: N#CC(N)(CC)C.Cl
• Canonical SMILES: CC(C#N)(CC)N.Cl
• InChI: InChI=1S/C5H10N2.ClH/c1-3-5(2,7)4-6;/h3,7H2,1-2H3;1H
• InChIKey: CMEICJISPBNHCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11858068
• PubChem SID: 164315397
• PubChem CID: 20535660

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0260031
• LogD (pH = 7.4): 0.30094725
• Log P: 0.43452585
• Molar Refractivity: 28.7139 cm^3
• Polarizability: 11.307113 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.235

Product Information

• Purity: 95%