ethyl (diethylcarbamoyl)formate

• ChemBase ID: 59119
• Molecular Formular: C8H15NO3
• Molecular Mass: 173.2096
• Monoisotopic Mass: 173.10519335
• SMILES: C(=O)(C(=O)OCC)N(CC)CC
• Canonical SMILES: CCOC(=O)C(=O)N(CC)CC
• InChI: InChI=1S/C8H15NO3/c1-4-9(5-2)7(10)8(11)12-6-3/h4-6H2,1-3H3
• InChIKey: VABKVSWGYZESTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (diethylcarbamoyl)formate
• IUPAC Traditional name: ethyl (diethylcarbamoyl)formate
• Synonyms: ETHYL DIETHYL OXAMATE; Ethyl (diethylamino)(oxo)acetate

Database IDs

• CAS Number: 5411-58-5
• MDL Number: MFCD00026836
• PubChem SID: 162063882
• PubChem CID: 138489

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8263092
• LogD (pH = 7.4): 0.8263092
• Log P: 0.8263092
• Molar Refractivity: 45.0691 cm^3
• Polarizability: 17.487404 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

DETAILS

MP Biomedicals - 05223548

MP Biomedicals Rare Chemical collection