Basic information
- Standard SMILES
CC(=O)Nc1cc(C(=O)O)ccc1C- InChIKey
FGHGVZVGAYQACH-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- 3-Acetamido-4-methylbenzoic acid
- IUPAC
- 3-acetamido-4-methylbenzoic acid
- English name
- 3-Acetamido-4-methylbenzoic acid
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.2
Names & synonyms
3-acetamido-4-methylbenzoic acidDTXSID20287896RefChem:496536DTXCID302390436946-14-13-(acetylamino)-4-methylbenzoic acidMFCD00020381Benzoic acid, 3-(acetylamino)-4-methyl-3-acetamido-4-methylbenzoicacid3-Acetylamino-4-methylbenzoic acid3-acetamido-4-methyl-benzoic acidNSC53196
Show more names
NSC 53196
3-acetamido-p-toluic acidSCHEMBL560143SCHEMBL27606751FGHGVZVGAYQACH-UHFFFAOYSA-NALBB-036627GAA94614NSC-53196SBB091572
Database identifiers
- CAS
6946-14-1- PubChem CID
- 243432
- DTXSID
DTXSID20287896- EC Number
- 654-076-0
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 267 · 267-270 °C (decomp)
- Boiling point
- 425.7 · 425.7±33.0 °C(Predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Predicted)
- pka
- 4.16 · 4.16±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- HS Code
- 2924297099 · 2924297099
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers24 total
宁波振岳医药科技有限公司19817745290 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
成都瑞欧克科技有限公司028-64353063 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
衢州爱美康生物科技有限公司0570-3081766 18357083060 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
Qingdao RENAS Polymer Material Co., Ltd.+86-0532-86867058 +86-18562606086 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
11 records
Linked notes
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