N-ethyl-N-methyl-3-(pyrrolidin-3-yl)benzamide hydrochloride

• ChemBase ID: 53205
• Molecular Formular: C14H21ClN2O
• Molecular Mass: 268.78234
• Monoisotopic Mass: 268.13424098
• SMILES: c1cc(cc(c1)C(=O)N(CC)C)C1CCNC1.Cl
• Canonical SMILES: CCN(C(=O)c1cccc(c1)C1CNCC1)C.Cl
• InChI: InChI=1S/C14H20N2O.ClH/c1-3-16(2)14(17)12-6-4-5-11(9-12)13-7-8-15-10-13;/h4-6,9,13,15H,3,7-8,10H2,1-2H3;1H
• InChIKey: JRKOTWNXVJULFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-methyl-3-(pyrrolidin-3-yl)benzamide hydrochloride
• IUPAC Traditional name: N-ethyl-N-methyl-3-(pyrrolidin-3-yl)benzamide hydrochloride
• Synonyms: N-Ethyl-N-methyl-3-(pyrrolidin-3-yl)benzamide hydrochloride

Database IDs

• MDL Number: MFCD14708238
• PubChem SID: 162057968
• PubChem CID: 46835747

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8722762
• LogD (pH = 7.4): -1.6723785
• Log P: 1.3664962
• Molar Refractivity: 70.4214 cm^3
• Polarizability: 26.771225 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%