Basic information
- CAS
1619-56-3- Standard SMILES
CCOC(=O)C(C#N)(CC)CC- InChIKey
MYPRYLUIKAKSET-UHFFFAOYSA-N- Molecular formula
- C9H15NO2
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.11027872
Names & identifiers
- Preferred name
- Ethyl 2-cyano-2-ethylbutyrate
- IUPAC
- ethyl 2-cyano-2-ethylbutanoate
- English name
- ethyl 2-cyano-2-ethylbutyrate
- Molecular formula
- C9H15NO2
- Molecular weight
- 169.22
Names & synonyms
ethyl 2-cyano-2-ethylbutanoate1619-56-3Ethyl 2-cyano-2-ethylbutyrate3N8BND6ESLButanoic acid, 2-cyano-2-ethyl-, ethyl esterEINECS 216-580-5NSC-1280812-Cyano-2-ethylbutanoic acid ethyl esterDTXSID00167268ETHYL 2-ETHYL-2-CYANOBUTYRATENSC 128081BUTYRIC ACID, 2-CYANO-2-ETHYL-, ETHYL ESTER
Show more names
2-cyano-2-ethyl-butyric acid ethyl ester
BUTYRIC ACID, .ALPHA.-CYANO-.ALPHA.-ETHYL-, ET ESTERRefChem:138590DTXCID2089759BUTYRIC ACID, ALPHA-CYANO-ALPHA-ETHYL-, ET ESTER216-580-5MFCD00045613ETHYL DIETHYLCYANOACETATENSC128081
Database identifiers
- CAS
1619-56-3- PubChem CID
- 74175
- DTXSID
DTXSID00167268- UNII
- 3N8BND6ESL
- EC Number
- 216-580-5
- Nikkaji
- J195.242K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 298.52 °C · 298.52°C (rough estimate)
- Density
- 1.0873 · 1.0873 (rough estimate)
- refractive index
- 1.42 · 1.4200
- FDA UNII
- 3 N8BND6ESL · 3N8BND6ESL
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers8 total
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
上海石鑫医药科技有限公司021-18621020637 18621020637 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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