Basic information
- CAS
2050-44-4- Standard SMILES
CC(=O)Nc1cc(C)ccc1C- InChIKey
CXLKSNKWHULUKA-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- N-(2,5-Dimethylphenyl)acetamide
- IUPAC
- N-(2,5-dimethylphenyl)acetamide
- English name
- N-(2,5-diMethylphenyl)acetaMide
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
N-(2,5-Dimethylphenyl)acetamide2050-44-4Acetamide, N-(2,5-dimethylphenyl)-DTXSID50174487RefChem:1090876DTXCID60969782,5-Dimethylacetanilide2',5'-ACETOXYLIDIDEMFCD00220610N-(2,5-Dimethyl-phenyl)-acetamideAcetanilide, 2',5'-dimethyl-2',5'-Dimethylacetanilide
Show more names
2',4'-ACETOXYLIDIDE2’,5’-acetoxylidideN-ACETYL-2,4-XYLIDINEN-Acetyl-2,5-xylidineN-ACETYL-2',4'-XYLIDINE2,4-DIMETHYLACETANILIDE2’,5’-dimethylacetanilide2’,5’-dimethyl-acetanilid2',4'-DIMETHYLACETANILIDE
Acetanilide,5'-dimethyl-Acetamide,5-dimethylphenyl)-WLN: 1VMR B1 E1NSC 7646NSC 43199Acetamide, N-(2,5-dimethylphenyl)- (9CI)SCHEMBL90967SCHEMBL2308213
Database identifiers
- CAS
2050-44-4- PubChem CID
- 16304
- DTXSID
DTXSID50174487- ChEMBL
CHEMBL3728148- Nikkaji
- J55.069H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
LogP1.47
Physicochemical properties
- Melting point
- 129 · 129-132 °C(lit.)
- Boiling point
- 292.8 · 292.8±9.0 °C(Predicted)
- Density
- 1.052 · 1.052±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 15.13 · 15.13±0.70(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26-36/37
- WGK Germany
- 3 · 3
- RTECS
- 7420000 · AN7420000
- HS Code
- 2924297099 · 2924297099
Safety & regulation
Safety data
- wgk
- 3
- rtecs
- AN7420000
- hs_code
- 2924297099
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Metabolism/MetabolitesN-(2,5-Dimethylphenyl)acetamide is a known human metabolite of 2,5-dimethylaniline.
Upstream & downstream products
Downstream products
Suppliers23 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
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上海相辉医药科技有限公司[email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
济南百舟生物科技有限公司0531-88987162 18615427082 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
山东碳氢生物化工有限公司15508610597 15508610597 · [email protected]
Related reactions
5 records
Compound notes
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