Ethyl 2-cyano-3-(dimethylamino)acrylate
Basic information
- CAS
16849-87-9- Standard SMILES
CCOC(=O)C(C#N)=CN(C)C- InChIKey
RZEPXNTYHXGQOO-UHFFFAOYSA-N- Molecular formula
- C8H12N2O2
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.08987763
Overview
See also: Ethyl 2-cyano 3 dimethyl amino acrylate (annotation moved to).
Names & identifiers
- Preferred name
- Ethyl 2-cyano-3-(dimethylamino)acrylate
- IUPAC
- ethyl 2-cyano-3-(dimethylamino)prop-2-enoate
- English name
- Ethyl 2-cyano-3-(dimethylamino)acrylate
- Molecular formula
- C8H12N2O2
- Molecular weight
- 168.19
Names & synonyms
ethyl 2-cyano-3-(dimethylamino)prop-2-enoateethyl 2-cyano-3-(dimethylamino)acrylate16849-87-9(E)-2-Cyano-3-dimethylamino-acrylic acid ethyl esterSCHEMBL8952107RZEPXNTYHXGQOO-UHFFFAOYSA-NDTXSID601382770AKOS030239994SB37738ethyl dimethylaminomethylenecyano-acetateDB-0129322-ethoxycarbonyl-3-dimethylamino-propenenitrile
Show more names
Ethyl dimethylaminomethylenecyETHYL 2-CYANO-3-DIMETHYLAMINOPROPENOATEEthyl dimethylaminomethylenecyanoacetateEthyl (2z)-2-cyano-3-(dimethylamino)acrylate2-Cyano-3-(dimethylamino)-acrylic acid ethyl esterethyl 2-cyano-3-(dimethylamino)prop-2-enoate - [AC80388]2-Propenoic acid, 2-cyano-3-(dimethylamino)-, ethyl ester
Database identifiers
- CAS
16849-87-9- PubChem CID
- 274128
- DTXSID
DTXSID601382770
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 76 · 76-78°C
- Boiling point
- 100 · 100-102 °C(Press: 0.001 Torr)
- Density
- 1.063 · 1.063±0.06 g/cm3(Predicted)
- pka
- 1.63 · 1.63±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2926907090 · 2926907090
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
- hs_code
- 2926907090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
2 records
Compound notes
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