Basic information
- Standard SMILES
COc1ccc(NC(C)=O)cc1N- InChIKey
SJWQCBCAGCEWCV-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987762
Names & identifiers
- Preferred name
- 3'-Amino-4'-methoxyacetanilide
- IUPAC
- N-(3-amino-4-methoxyphenyl)acetamide
- English name
- 3'-Amino-4'-methoxyacetanilide
- Molecular formula
- C9H12N2O2
- Molecular weight
- 180.2
Names & synonyms
N-(3-Amino-4-methoxyphenyl)acetamide6375-47-93'-Amino-4'-methoxyacetanilideAcetamide, N-(3-amino-4-methoxyphenyl)-3-Amino-4-methoxyacetanilideCCRIS 9091DTXSID2027620EINECS 228-938-8DTXCID507620pAcetanisidide, 3'amino3Amino4methoxyacetanilideRefChem:484608
Show more names
2-Methoxy-5-(acetylamino)anilineTIMTEC-BB SBB0002175-ACETAMIDO-O-ANISIDINEo-Amino-p-acetanisidine4-ACETAMIDO-2-AMINOANISOLE4-ACETAMINO-2-AMINOANISOLE2-AMINO-4-ACETAMIDOANISOLE
Acetamide, N(3amino4methoxyphenyl)228-938-82-Amino-4-acetamino anisolep-Acetanisidide, 3'-amino-N-(3-amino-4-methoxy-phenyl)acetamide3-Amino-4-Methoxy Acetanilide3-Amino-p-acetanisidideFSR7TUQ7VK
Database identifiers
- CAS
6375-47-9- PubChem CID
- 80779
- DTXSID
DTXSID2027620- ChEMBL
CHEMBL3184844- UNII
- FSR7TUQ7VK
- EC Number
- 228-938-8
- Nikkaji
- J59.981F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Collision Cross Section137.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2027620]
Physicochemical properties
- Melting point
- 109 °C · 109°C
- Boiling point
- 313.03 °C · 313.03°C (rough estimate)
- Density
- 1.1819 · 1.1819 (rough estimate)
- refractive index
- 1.5373 · 1.5373 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 14.23 · 14.23±0.70(Predicted)
- color
- White to Gray to Brown
- Stability
- Hygroscopic
- InChI
- InChI=1S/C9H12N2O2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,10H2,1-2H3,(H,11,12)
- InChIKey
- SJWQCBCAGCEWCV-UHFFFAOYSA-N
- SMILES
- C(NC1=CC=C(OC)C(N)=C1)(=O)C
- CAS DataBase Reference
- 6375 · 6375-47-9(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2-Amino-4-acetamino anisole(6375-47-9)
- EPA Substance Registry System
- Acetamide, N-(3-amino-4-methoxyphenyl)- (6375-47-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 1 · 1
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 2924297099 · 2924297099
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 81.8% (9 of 11) of all reports.
Warning
H302 (18.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
Hazard information
Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See Acetanilide.
Hazard Classes and CategoriesAcute Tox. 4 (18.2%)
Safety data
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 2924297099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-(3-amino-4-methoxyphenyl)-: ACTIVE
Applications
Uses3'-Amino-4'-methoxyacetanilide mainly used as a disperse dye intermediate
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
杭州景优化工有限公司87211835 13957193240 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
泰安环宇化工有限公司13176825516; 13176825516
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
武汉科美沃化工有限公司+86-2785736489 +8618171418573 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海速博化学科技有限公司21-54820552 17702105771
湖北兴琰新材料科技有限公司13129948835 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
上海竺钥化工有限公司021-33559231 18964673308 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
武汉科美沃化工有限公司027-85736489 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
武汉普洛夫生物科技有限公司17612776928 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
上海东帆化工科技有限公司+86 (21) 3450-0607 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
潍坊市前进精细化工有限公司18753684562 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
Related reactions
9 records
Linked notes
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