Basic information
- CAS
14745-58-5- Standard SMILES
C=CC(=O)Nc1ccc(C(=O)OCC)cc1- InChIKey
WPLURKJQMNROKG-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.08954328
Names & identifiers
- Preferred name
- Ethyl 4-[(1-oxoallyl)amino]benzoate
- IUPAC
- ethyl 4-(prop-2-enoylamino)benzoate
- English name
- ethyl 4-[(1-oxoallyl)amino]benzoate
- Molecular formula
- C12H13NO3
- Molecular weight
- 219.23652
Names & synonyms
ethyl 4-(prop-2-enoylamino)benzoateEthyl 4-((1-oxoallyl)amino)benzoateJW9AHS6ZAMEthyl 4-[(1-oxo-2-propen-1-yl)amino]benzoateETHYL 4-[(1-OXOALLYL)AMINO]BENZOATEEINECS 238-807-7DTXSID20163722ETHYL 4-((1-OXO-2-PROPEN-1-YL)AMINO)BENZOATEBENZOIC ACID, 4-((1-OXO-2-PROPEN-1-YL)AMINO)-, ETHYL ESTERRefChem:138728DTXCID5086213238-807-7
Show more names
4-(1-Oxo-2-propenylamino)benzoic acid ethyl esterBenzoic acid, 4-[(1-oxo-2-propen-1-yl)amino]-, ethyl ester
14745-58-5ethyl 4-(prop-2-enamido)benzoateEthyl 4-acrylamidobenzoateBenzoic acid,4-[(1-oxo-2-propen-1-yl)amino]-, ethyl esterUNII-JW9AHS6ZAMSCHEMBL784330ethyl 4-(acryloylamino)benzoateAKOS005605356
Database identifiers
- CAS
14745-58-5- PubChem CID
- 84618
- DTXSID
DTXSID20163722- UNII
- JW9AHS6ZAM
- EC Number
- 238-807-7
- Nikkaji
- J227.173G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Boiling point
- 395.4 · 395.4±34.0 °C(Predicted)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- pka
- 13.1 · 13.10±0.70(Predicted)
- FDA UNII
- 9 AHS6ZAM · JW9AHS6ZAM
Chemistry & industry
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
Qingdao RENAS Polymer Material Co., Ltd.+86-0532-86867058 +86-18562606086 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
13 records
Compound notes
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