ethyl cyclopropanecarboximidate hydrochloride

• ChemBase ID: 55339
• Molecular Formular: C6H12ClNO
• Molecular Mass: 149.61858
• Monoisotopic Mass: 149.06074169
• SMILES: C1CC1C(=N)OCC.Cl
• Canonical SMILES: CCOC(=N)C1CC1.Cl
• InChI: InChI=1S/C6H11NO.ClH/c1-2-8-6(7)5-3-4-5;/h5,7H,2-4H2,1H3;1H
• InChIKey: SGEMMELRMUVIHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl cyclopropanecarboximidate hydrochloride
• IUPAC Traditional name: ethyl cyclopropanecarboximidate hydrochloride
• Synonyms: Ethyl cyclopropanecarboximidoate hydrochloride

Database IDs

• CAS Number: 63190-44-3
• MDL Number: MFCD11865278
• PubChem SID: 162060102
• PubChem CID: 20026660

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.49201384
• LogD (pH = 7.4): 0.8864623
• Log P: 1.0387473
• Molar Refractivity: 42.3015 cm^3
• Polarizability: 12.472337 Å^3
• Polar Surface Area: 33.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false