Basic information
- CAS
39149-13-8- Standard SMILES
CC(=O)Nc1ccc(OCC(=O)O)cc1- InChIKey
LYJCGBYEVXKOST-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Overview
metabolite of phenacetin
Names & identifiers
- Preferred name
- 4-Acetaminophenoxyacetic acid
- IUPAC
- 2-(4-acetamidophenoxy)acetic acid
- English name
- 4-acetaminophenoxyacetic acid
- Molecular formula
- C10H11NO4
- Molecular weight
- 209.2
Names & synonyms
39149-13-84-Acetaminophenoxyacetic acidAcetamidophenoxyacetic acidAF2P464G9JAcetic acid, (4-(acetylamino)phenoxy)-NSC-519725DTXSID00192393Acetic acid, [4-(acetylamino)phenoxy]-RefChem:912283DTXCID101148842-(4-acetamidophenoxy)acetic acid(4-acetamidophenoxy)acetic acid
Show more names
Acetic acid, 2-[4-(acetylamino)phenoxy]-
[4-(acetylamino)phenoxy]acetic acidMFCD012424452-(4-acetamidophenoxy)ethanoic acid2-(p-Acetamidophenoxy)acetic acidAcetic acid, (p-acetamidophenoxy)-2-[4-(acetylamino)phenoxy]acetic acidNSC 519725ChemDiv2_002314
Database identifiers
- CAS
39149-13-8- PubChem CID
- 101437
- DTXSID
DTXSID00192393- UNII
- AF2P464G9J
- Nikkaji
- J1.430.200J
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 175 · 175-177 °C
- Boiling point
- 469.6 · 469.6±25.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.18 · 3.18±0.10(Predicted)
- Appearance
- White to off-white Solid
- FDA UNII
- 2 P464G9J · AF2P464G9J
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers22 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
武汉市恒瑞信泰生物医药科技有限公司027-027-65522215 18163303831 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Related reactions
2 records
Compound notes
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