3-(dimethylamino)propanenitrile hydrochloride

• ChemBase ID: 257991
• Molecular Formular: C5H11ClN2
• Molecular Mass: 134.60724
• Monoisotopic Mass: 134.06107604
• SMILES: N#CCCN(C)C.Cl
• Canonical SMILES: N#CCCN(C)C.Cl
• InChI: InChI=1S/C5H10N2.ClH/c1-7(2)5-3-4-6;/h3,5H2,1-2H3;1H
• InChIKey: VXYYGUQECNRTJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethylamino)propanenitrile hydrochloride
• IUPAC Traditional name: 3-(dimethylamino)propanenitrile hydrochloride
• Synonyms: 3-(dimethylamino)propanenitrile hydrochloride

Database IDs

• MDL Number: MFCD01695420
• PubChem SID: 164313901
• PubChem CID: 205493

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.4729714
• LogD (pH = 7.4): -0.16196626
• Log P: -0.036885623
• Molar Refractivity: 29.7514 cm^3
• Polarizability: 11.307113 Å^3
• Polar Surface Area: 27.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.124

Product Information

• Purity: 95%