N-(2-chloroethyl)cyclopropanecarboxamide

• ChemBase ID: 236224
• Molecular Formular: C6H10ClNO
• Molecular Mass: 147.6027
• Monoisotopic Mass: 147.04509163
• SMILES: C1(C(=O)NCCCl)CC1
• Canonical SMILES: ClCCNC(=O)C1CC1
• InChI: InChI=1S/C6H10ClNO/c7-3-4-8-6(9)5-1-2-5/h5H,1-4H2,(H,8,9)
• InChIKey: RNBDAVGOSHTAOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-chloroethyl)cyclopropanecarboxamide
• IUPAC Traditional name: N-(2-chloroethyl)cyclopropanecarboxamide
• Synonyms: N-(2-chloroethyl)cyclopropanecarboxamide

Database IDs

• MDL Number: MFCD11612173
• PubChem SID: 164292134
• PubChem CID: 28347355

CALCULATED PROPERTIES

• Acid pKa: 14.4852085
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.63767356
• LogD (pH = 7.4): 0.6376738
• Log P: 0.6376738
• Molar Refractivity: 36.1051 cm^3
• Polarizability: 14.139458 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.098

Product Information

• Purity: 95%