methyl 5-chloropentanecarboximidate hydrochloride

• ChemBase ID: 248084
• Molecular Formular: C6H13Cl2NO
• Molecular Mass: 186.07952
• Monoisotopic Mass: 185.0374194
• SMILES: C(=N)(OC)CCCCCl.Cl
• Canonical SMILES: ClCCCCC(=N)OC.Cl
• InChI: InChI=1S/C6H12ClNO.ClH/c1-9-6(8)4-2-3-5-7;/h8H,2-5H2,1H3;1H
• InChIKey: VSQRVADUKCYCER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-chloropentanecarboximidate hydrochloride
• IUPAC Traditional name: methyl 5-chloropentanecarboximidate hydrochloride
• Synonyms: methyl 5-chloropentanecarboximidate hydrochloride

Database IDs

• MDL Number: MFCD20624416
• PubChem SID: 164303994
• PubChem CID: 12657472

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.45487946
• LogD (pH = 7.4): 1.3678712
• Log P: 1.4097296
• Molar Refractivity: 48.9623 cm^3
• Polarizability: 15.048667 Å^3
• Polar Surface Area: 33.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74 - 76°C
• Hydrophobicity(logP): 1.187

Product Information

• Purity: 95%