Basic information
- CAS
5325-93-9- Standard SMILES
CC(=O)OCCC#N- InChIKey
IJJJSNBMFDDFBC-UHFFFAOYSA-N- Molecular formula
- C5H7NO2
- Average molar mass
- 113.11 g/mol
- Monoisotopic mass
- 113.04767846
Names & identifiers
- Preferred name
- 2-Cyanoethyl acetate
- IUPAC
- 2-cyanoethyl acetate
- English name
- 2-cyanoethyl acetate
- Molecular formula
- C5H7NO2
- Molecular weight
- 113.11458
Names & synonyms
2-cyanoethyl acetate5325-93-9NSC-235DM3LX462YUDTXSID70276977RefChem:1062903DTXCID10228137cyanoethyl acetate3-(acetyloxy)propanenitrileHYDRACRYLONITRILE, ACETATEcyanoethylacetateNSC235
Show more names
3-cyanoethyl acetate3-Acetoxyacetonitrile
3-acetoxypropionitrileSCHEMBL1235849SCHEMBL8589456Propanenitrile, 3-(acetyloxy)-Acetic acid 2-cyano-ethyl esterIJJJSNBMFDDFBC-UHFFFAOYSA-NDB-128056
Database identifiers
- CAS
5325-93-9- PubChem CID
- 219224
- DTXSID
DTXSID70276977- UNII
- DM3LX462YU
- Nikkaji
- J1.305.187I
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 122
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- storage temp.
- -20 °C, · -20°C, sealed storage, away from moisture
- Appearance
- Colorless to light yellow Liquid
- FDA UNII
- 3 LX462YU · DM3LX462YU
Chemistry & industry
Suppliers12 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
上海澜克医药科技有限公司021-52216295 lankepharma · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
江西叶宏医药科技有限公司0793-15967982-804 13970348580 · [email protected]
广州市震霖医药科技有限公司020-18102736 13622807357 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
Related reactions
2 records
Compound notes
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