Ethanimidic acid, N-cyano-, methyl ester
Basic information
- CAS
5652-84-6- Standard SMILES
COC(C)=NC#N- InChIKey
LILTZUFNZDRURN-UHFFFAOYSA-N- Molecular formula
- C4H6N2O
- Average molar mass
- 98.1 g/mol
- Monoisotopic mass
- 98.04801282
Names & identifiers
- Preferred name
- Ethanimidic acid, N-cyano-, methyl ester
- IUPAC
- methyl N-cyanoethanimidate
- English name
- Methyl N-cyanoethanimideate
- Molecular formula
- C4H6N2O
- Molecular weight
- 98.1
Names & synonyms
5652-84-6Methyl N-cyanoacetimidateMethyl N-cyanoethanimidateEthanimidic acid, N-cyano-, methyl esterAcetimidic acid, N-cyano-, methyl esterDTXSID2073352methyl-n-cyanoethanimidateRefChem:138197DTXCID5042083611-398-6Methyl N-cyanoethanimideateMETHYL N-CYANOACETOIMIDATE
Show more names
EthaniMidic acidmethyln-cyanoethanimidateN-CYANO METHYL ACETIMIDATECYANOETHANIMIDICMETHYLESTERMethyl N-cyanoethylimidoateN-CYANOETHANIMIDIC METHYL ESTER
methyl N-cyanoethanecarboximidateMethyl (E)-N-cyanoacetimidateMFCD01752867N-Cyanoacetimidic acid methyl ester1065058-04-9Methyl(E)-N-cyanoacetimidateSCHEMBL739059SCHEMBL739060
Database identifiers
- CAS
5652-84-6- PubChem CID
- 93008
- DTXSID
DTXSID2073352- EC Number
- 611-398-6
- Nikkaji
- J1.560.610J
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 98 · 98-99 °C(Press: 25 Torr)
- Density
- 0.95 · 0.95±0.1 g/cm3(Predicted)
- pka
- -3.1 · -3.10±0.50(Predicted)
- Specific Gravity
- 1.04 · 1.04
- CAS DataBase Reference
- 5652 · 5652-84-6(CAS DataBase Reference)
- EPA Substance Registry System
- Ethanimidic acid, N-cyano-, methyl ester (5652-84-6)
- TSCA
- TSCA listed
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 InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanimidic acid, N-cyano-, methyl ester: INACTIVE
Applications
UsesUsed as an intermediate for acetamiprid.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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