ethyl carbamoylformate hydrochloride

• ChemBase ID: 112518
• Molecular Formular: C4H8ClNO3
• Molecular Mass: 153.56422
• Monoisotopic Mass: 153.0192708
• SMILES: Cl.CCOC(=O)C(=O)N
• Canonical SMILES: CCOC(=O)C(=O)N.Cl
• InChI: InChI=1S/C4H7NO3.ClH/c1-2-8-4(7)3(5)6;/h2H2,1H3,(H2,5,6);1H
• InChIKey: YJSIYYFSBCZIMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl carbamoylformate hydrochloride
• IUPAC Traditional name: ethyl carbamoylformate hydrochloride
• Synonyms: ETHYL ACETAMIDATE HYDROCHLORIDE

Database IDs

• PubChem SID: 162106695
• PubChem CID: 19983589

CALCULATED PROPERTIES

• Acid pKa: 12.406755
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.3346588
• LogD (pH = 7.4): -0.33465502
• Log P: -0.33465883
• Molar Refractivity: 25.7785 cm^3
• Polarizability: 10.216584 Å^3
• Polar Surface Area: 69.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05224501

MP Biomedicals Rare Chemical collection