4-amino-1-propylpyrrolidin-2-one hydrochloride

• ChemBase ID: 143985
• Molecular Formular: C7H15ClN2O
• Molecular Mass: 178.6598
• Monoisotopic Mass: 178.08729079
• SMILES: CCCN1CC(CC1=O)N.Cl
• Canonical SMILES: CCCN1CC(CC1=O)N.Cl
• InChI: InChI=1S/C7H14N2O.ClH/c1-2-3-9-5-6(8)4-7(9)10;/h6H,2-5,8H2,1H3;1H
• InChIKey: QMXMFEKULNPIMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13186087
• PubChem SID: 162238202
• PubChem CID: 53398870

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.455502
• LogD (pH = 7.4): -2.3088958
• Log P: -0.5024808
• Molar Refractivity: 39.2922 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C7H15ClN2O

DETAILS

Sigma Aldrich - CBR00820

Other Notes
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Legal Information
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