2-amino-1-(pyrrolidin-1-yl)ethan-1-one

• ChemBase ID: 124890
• Molecular Formular: C6H12N2O
• Molecular Mass: 128.17228
• Monoisotopic Mass: 128.09496301
• SMILES: N1(C(=O)CN)CCCC1
• Canonical SMILES: NCC(=O)N1CCCC1
• InChI: InChI=1S/C6H12N2O/c7-5-6(9)8-3-1-2-4-8/h1-5,7H2
• InChIKey: SJNAQBNIUKINQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1-(pyrrolidin-1-yl)ethan-1-one
• IUPAC Traditional name: 2-amino-1-(pyrrolidin-1-yl)ethanone
• Synonyms: 2-oxo-2-(1-pyrrolidinyl)ethanamine; 2-amino-1-(pyrrolidin-1-yl)ethanone; 2-oxo-2-pyrrolidin-1-ylethanamine

Database IDs

• CAS Number: 24152-95-2
• MDL Number: MFCD08060127
• PubChem SID: 162219243
• PubChem CID: 11205761

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.589197
• LogD (pH = 7.4): -1.9051137
• Log P: -1.1012685
• Molar Refractivity: 35.16 cm^3
• Polarizability: 13.794192 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.82

Product Information

• Purity: 95%