Basic information
- CAS
7465-13-6- Standard SMILES
CC(=O)NCCc1ccc(C(=O)O)cc1- InChIKey
GFUFUJMSZWBPNH-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- 4-(2-Acetamidoethyl)benzoic acid
- IUPAC
- 4-(2-acetamidoethyl)benzoic acid
- English name
- 4-(2-(N-Acetylamino)ethyl)benzoicacid
- Molecular formula
- C11H13NO3
- Molecular weight
- 207.23
Names & synonyms
4-(2-acetamidoethyl)benzoic acid7465-13-64-[2-(acetylamino)ethyl]benzoic acidBenzoic acid,4-[2-(acetylamino)ethyl]-NSC400161CHEMBL441476SCHEMBL35239374-(2-acetamidoethyl)benzoicacidSCHEMBL27711422DTXSID60321980GFUFUJMSZWBPNH-UHFFFAOYSA-NHMS1783P21
Show more names
RMA-104Benzoic acid, 4-[2-(acetylamino)ethyl]-
p-(2-Acetamidoethyl)-benzoic acid4-(2-Acetamidoethyl)-benzoic acid4-(2-Acetaminoethyl)-benzoic acid4-(2-acetylaminoethyl)benzoic acidHAA465134-(2-acetylaminoethyl)-benzoic acidMFCD02684183AKOS000118175
Database identifiers
- CAS
7465-13-6- PubChem CID
- 343701
- DTXSID
DTXSID60321980- ChEMBL
CHEMBL441476
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
山东诚创蓝海医药科技有限公司0531-58897130 15508676053 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
5 records
Compound notes
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