Basic information
- CAS
22560-84-5- Standard SMILES
COC(=O)C(C#N)=CN1c2ccccc2CC1C- InChIKey
IELMCEIHXZGQBI-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.10552769
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-cyano-3-(2,3-dihydro-2-methyl-1H-indol-1-yl)-, methyl ester
- IUPAC
- methyl 2-cyano-3-(2-methyl-2,3-dihydroindol-1-yl)prop-2-enoate
- English name
- methyl 2-cyano-3-(2,3-dihydro-2-methyl-1H-indol-1-yl)acrylate
- Molecular formula
- C14H14N2O2
- Molecular weight
- 242.27
Names & synonyms
22560-84-5EINECS 245-079-42-Propenoic acid, 2-cyano-3-(2,3-dihydro-2-methyl-1H-indol-1-yl)-, methyl esterDTXSID20865057Methyl 2-cyano-3-(2,3-dihydro-2-methyl-1H-indol-1-yl)-2-propenoate2-Cyano-3-(2-methyl-2,3-dihydro-1H-indol-1-yl)propenoic acid methyl esterRefChem:89237DTXCID40813510Methyl 2-cyano-3-(2,3-dihydro-2-methyl-1H-indol-1-yl)acrylateSCHEMBL77024IELMCEIHXZGQBI-UHFFFAOYSA-Nmethyl 2-cyano-3-(2-methyl-2,3-dihydro-1h-indol-1-yl)prop-2-enoate
Show more names
2,3-Dihydro-1-(β-cyano-β-methoxycarbonylethenyl)-2-methyl-1H-indole2-Cyano-3-(2-methyl-2,3-dihydro-1H-indol-1-yl)propenoic acid methylester2-PROPENOICACID,2-CYANO-3-(2,3-DIHYDRO-2-METHYL-INDOL-1-YL)-,METHYLESTER
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Boiling point
- 362.9 · 362.9±42.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- pka
- -1.45 · -1.45±0.40(Predicted)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 2 · Methyl 2-cyano-3-(2,3-dihydro-2-methyl-1H-indol-1-yl)acrylate (22560-84-5)
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 2-Propenoic acid, 2-cyano-3-(2,3-dihydro-2-methyl-1H-indol-1-yl)-, methyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propenoic acid, 2-cyano-3-(2,3-dihydro-2-methyl-1H-indol-1-yl)-, methyl ester: INACTIVE
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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