4-amino-1-methylpyrrolidin-2-one hydrochloride

• ChemBase ID: 272398
• Molecular Formular: C5H11ClN2O
• Molecular Mass: 150.60664
• Monoisotopic Mass: 150.05599066
• SMILES: C1(=O)N(CC(C1)N)C.Cl
• Canonical SMILES: NC1CC(=O)N(C1)C.Cl
• InChI: InChI=1S/C5H10N2O.ClH/c1-7-3-4(6)2-5(7)8;/h4H,2-3,6H2,1H3;1H
• InChIKey: NGUXWEHRQIGWMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-1-methylpyrrolidin-2-one hydrochloride
• IUPAC Traditional name: 4-amino-1-methylpyrrolidin-2-one hydrochloride
• Synonyms: 4-amino-1-methylpyrrolidin-2-one hydrochloride

Database IDs

• MDL Number: MFCD09864324
• PubChem SID: 164328308
• PubChem CID: 50988498

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.26766
• LogD (pH = 7.4): -2.9077368
• Log P: -1.3818111
• Molar Refractivity: 30.0196 cm^3
• Polarizability: 11.95924 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 147°C
• Hydrophobicity(logP): -0.36

Product Information

• Purity: 95%