ethyl 2-methylpropanecarboximidate hydrochloride

• ChemBase ID: 248149
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: C(=N)(C(C)C)OCC.Cl
• Canonical SMILES: CCOC(=N)C(C)C.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-4-8-6(7)5(2)3;/h5,7H,4H2,1-3H3;1H
• InChIKey: LWNZWFFRNHYXPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-methylpropanecarboximidate hydrochloride
• IUPAC Traditional name: ethyl 2-methylpropanecarboximidate hydrochloride
• Synonyms: ethyl 2-methylpropanecarboximidate hydrochloride

Database IDs

• MDL Number: MFCD00034992
• PubChem SID: 164304059
• PubChem CID: 12816252

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.34353495
• LogD (pH = 7.4): 1.2251011
• Log P: 1.5024732
• Molar Refractivity: 44.1037 cm^3
• Polarizability: 13.198689 Å^3
• Polar Surface Area: 33.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 89 - 91°C
• Hydrophobicity(logP): 1.254

Product Information

• Purity: 95%