Basic information
- CAS
65523-05-9- Standard SMILES
CCOC(=O)CC(=N)C(C#N)C(=O)OCC- InChIKey
XBOMYZCTRIMBMW-UHFFFAOYSA-N- Molecular formula
- C10H14N2O4
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.09535693
Names & identifiers
- Preferred name
- Diethyl 2-cyano-3-iminopentanedioate
- IUPAC
- diethyl 2-cyano-3-iminopentanedioate
- English name
- diethyl 2-cyano-3-imino-pentanedioate
- Molecular formula
- C10H14N2O4
- Molecular weight
- 226.23
Names & synonyms
65523-05-9diethyl 2-cyano-3-iminopentanedioate1,5-DIETHYL 2-CYANO-3-IMINOPENTANEDIOATENSC75644Pentanedioic acid,2-cyano-3-imino-, 1,5-diethyl esterstarbld0037188NCIOpen2_004535DTXSID60291452MFCD00964133NSC-756442-Cyano-3-imino-glutaric acid diethyl esterDIETHYL 2-CYANO-3-IMINO-PENTANEDIOATE
Show more names
Pentanedioic acid, 2-cyano-3-imino-, 1,5-diethyl ester
Database identifiers
- CAS
65523-05-9- PubChem CID
- 253136
- DTXSID
DTXSID60291452
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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