2-Cyano-3-morpholin-4-YL-acrylic acid ethyl ester
Basic information
- CAS
6630-64-4- Standard SMILES
CCOC(=O)C(C#N)=CN1CCOCC1- InChIKey
JEUHJKUDMBBWLQ-UHFFFAOYSA-N- Molecular formula
- C10H14N2O3
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.10044231
Names & identifiers
- Preferred name
- 2-Cyano-3-morpholin-4-YL-acrylic acid ethyl ester
- IUPAC
- ethyl 2-cyano-3-morpholin-4-ylprop-2-enoate
Names & synonyms
2-Cyano-3-morpholin-4-yl-acrylic acid ethyl esterRefChem:470637653-026-5ETHYL 2-CYANO-3-MORPHOLINOACRYLATECBMicro_015003(E)-2-Cyano-3-morpholin-4-yl-acrylic acid ethyl esterSCHEMBL1930989AB06472
Database identifiers
- CAS
6630-64-4- PubChem CID
- 246644
- EC Number
- 653-026-5
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 297
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
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Compound notes
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