1-(2-aminopropyl)pyrrolidin-2-one hydrochloride

• ChemBase ID: 261132
• Molecular Formular: C7H15ClN2O
• Molecular Mass: 178.6598
• Monoisotopic Mass: 178.08729079
• SMILES: N1(C(=O)CCC1)CC(N)C.Cl
• Canonical SMILES: CC(CN1CCCC1=O)N.Cl
• InChI: InChI=1S/C7H14N2O.ClH/c1-6(8)5-9-4-2-3-7(9)10;/h6H,2-5,8H2,1H3;1H
• InChIKey: AKSIZVWNUAUHNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminopropyl)pyrrolidin-2-one hydrochloride
• IUPAC Traditional name: 1-(2-aminopropyl)pyrrolidin-2-one hydrochloride
• Synonyms: 1-(2-aminopropyl)pyrrolidin-2-one hydrochloride

Database IDs

• MDL Number: MFCD12912797
• PubChem SID: 164317042
• PubChem CID: 45791715

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.7125034
• LogD (pH = 7.4): -2.6895938
• Log P: -0.736342
• Molar Refractivity: 39.5232 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 138 - 140°C
• Hydrophobicity(logP): -0.434

Product Information

• Purity: 95%