Basic information
- CAS
17686-43-0- Standard SMILES
CCCCCCCCCCOC(=O)CC#N- InChIKey
FEPOSCQQECTWHH-UHFFFAOYSA-N- Molecular formula
- C13H23NO2
- Average molar mass
- 225.33 g/mol
- Monoisotopic mass
- 225.17287898
Names & identifiers
- Preferred name
- Decyl cyanoacetate
- IUPAC
- decyl 2-cyanoacetate
- English name
- decyl cyanoacetate
- Molecular formula
- C13H23NO2
- Molecular weight
- 225.32722
Names & synonyms
Decyl cyanoacetatedecyl 2-cyanoacetate17686-43-0U6LC972ZT7EINECS 241-670-6DTXSID20170198Acetic acid, cyano-, decyl esterNSC 70112ACETIC ACID, 2-CYANO-, DECYL ESTERRefChem:585565DTXCID8092689241-670-6
Show more names
Cyanoacetic acid decyl ester
n-DECYL CYANOACETATEUNII-U6LC972ZT7Cyanoacetic acid, decyl esterSCHEMBL224044Cyano-Acetic Acid Decyl EsterNSC70112NSC-70112AKOS024333896
Database identifiers
- CAS
17686-43-0- PubChem CID
- 87237
- DTXSID
DTXSID20170198- UNII
- U6LC972ZT7
- EC Number
- 241-670-6
- Nikkaji
- J287.118A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- FDA UNII
- 6 LC972ZT7 · U6LC972ZT7
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
北京百奥创新科技有限公司15522676233 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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