N,N-diethylpyrrolidine-2-carboxamide hydrochloride

• ChemBase ID: 48902
• Molecular Formular: C9H19ClN2O
• Molecular Mass: 206.71296
• Monoisotopic Mass: 206.11859092
• SMILES: C(=O)(N(CC)CC)C1NCCC1.Cl
• Canonical SMILES: CCN(C(=O)C1CCCN1)CC.Cl
• InChI: InChI=1S/C9H18N2O.ClH/c1-3-11(4-2)9(12)8-6-5-7-10-8;/h8,10H,3-7H2,1-2H3;1H
• InChIKey: PECYCCTYWNQQRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethylpyrrolidine-2-carboxamide hydrochloride
• IUPAC Traditional name: N,N-diethylpyrrolidine-2-carboxamide hydrochloride
• Synonyms: N,N-diethylpyrrolidine-2-carboxamide hydrochloride; N,N-Diethyl-2-pyrrolidinecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD04545011
• PubChem SID: 162053665
• PubChem CID: 16896469

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9500895
• LogD (pH = 7.4): -2.1014214
• Log P: 0.256884
• Molar Refractivity: 49.1771 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.896

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%