4-amino-1-[2-(morpholin-4-yl)ethyl]pyrrolidin-2-one dihydrochloride

• ChemBase ID: 276377
• Molecular Formular: C10H21Cl2N3O2
• Molecular Mass: 286.19864
• Monoisotopic Mass: 285.10108229
• SMILES: N1(C(=O)CC(C1)N)CCN1CCOCC1.Cl.Cl
• Canonical SMILES: NC1CN(C(=O)C1)CCN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C10H19N3O2.2ClH/c11-9-7-10(14)13(8-9)2-1-12-3-5-15-6-4-12;;/h9H,1-8,11H2;2*1H
• InChIKey: AALDLNPSQLAHMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-1-[2-(morpholin-4-yl)ethyl]pyrrolidin-2-one dihydrochloride
• IUPAC Traditional name: 4-amino-1-[2-(morpholin-4-yl)ethyl]pyrrolidin-2-one dihydrochloride
• Synonyms: 4-amino-1-[2-(morpholin-4-yl)ethyl]pyrrolidin-2-one dihydrochloride

Database IDs

• MDL Number: MFCD19382170
• PubChem SID: 164332287
• PubChem CID: 54594163

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.4279213
• LogD (pH = 7.4): -3.423905
• Log P: -1.5816671
• Molar Refractivity: 57.1132 cm^3
• Polarizability: 22.662224 Å^3
• Polar Surface Area: 58.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 239 - 241°C
• Hydrophobicity(logP): -0.257

Product Information

• Purity: 95%