Ethyl oxamate
Basic information
- CAS
617-36-7- Standard SMILES
CCOC(=O)C(N)=O- InChIKey
RZMZBHSKPLVQCP-UHFFFAOYSA-N- Molecular formula
- C4H7NO3
- Average molar mass
- 117.1 g/mol
- Monoisotopic mass
- 117.04259309
Names & identifiers
- Preferred name
- Ethyl oxamate
- IUPAC
- ethyl 2-amino-2-oxoacetate
- English name
- Ethyl oxamate
- Molecular formula
- C4H7NO3
- Molecular weight
- 117.1
Names & synonyms
Ethyl oxamateOxamic acid ethyl esterAcetic acid, aminooxo-, ethyl esterEthoxalamideAI3-61779Oxalic acid, monoethyl ester amideEINECS 210-512-8DTXSID10210698NSC 48381RefChem:139030DTXCID40133189210-512-8
Show more names
OXAMETHANEEthylOxamate>Ethyloxamate,98+%Oxamic acid ethylEthyl oxamate,99%Ethyl oxamate 98%Oxamidic acid ethylLodoxamide Impurity 3
RZMZBHSKPLVQCP-UHFFFAOYSA-N617-36-7ethyl 2-amino-2-oxoacetateethyl carbamoylformateEthyl amino(oxo)acetateOxamic acid, ethyl esterOxamidic Acid Ethyl EsterMFCD00008005
Database identifiers
- CAS
617-36-7- PubChem CID
- 69238
- DTXSID
DTXSID10210698- UNII
- B9V7Y5CP6W
- EC Number
- 210-512-8
- Nikkaji
- J1.666G
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Melting point
- 112 · 112-115 °C
- Boiling point
- 218.88 °C · 218.88°C (rough estimate)
- Density
- 1.3886 · 1.3886 (rough estimate)
- refractive index
- 1.454 · 1.4540 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 13.37 · 13.37±0.50(Predicted)
- form
- Crystalline Powder, Crystals, and/or Chunks
- color
- White
- BRN
- 506728 · 506728
- InChI
- InChI=1S/C4H7NO3/c1-2-8-4(7)3(5)6/h2H2,1H3,(H2,5,6)
- InChIKey
- RZMZBHSKPLVQCP-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C(N)=O
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationAcetic acid, aminooxo-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29241990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25-22
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
Uses2-Amino-2-oxo-acetic Acid Ethyl Ester is a reagent used to prepare methanotetrahydroisoquinolinecarboxylic acid. It can also be used in preparation of 1,2,4-Thiadiazole, a Cathepsin B inhibitor.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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