Basic information
- CAS
591-33-3- Standard SMILES
CCOc1cccc(NC(C)=O)c1- InChIKey
YVTBOWVWYXJHLD-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Overview
N-(3-ethoxyphenyl)acetamide is a gray plates (in H2O). (NTP, 1992)
Names & identifiers
- Preferred name
- 3'-Ethoxyacetanilide
- IUPAC
- N-(3-ethoxyphenyl)acetamide
- English name
- 3'-Ethoxyacetanilide
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
3'-EthoxyacetanilideN-(3-Ethoxyphenyl)acetamideAcetanilide, 3'-ethoxy-Acetamide, N-(3-ethoxyphenyl)-NSC 7650EINECS 209-713-30X00AE1BZWBRN 2691816NSC-7650UNII-0X00AE1BZW3-13-00-00950 (Beilstein Handbook Reference)DTXSID8060450
Show more names
Neratinib-0023-acetophenetidide3’-ethoxy-acetanilidN-Acetyl-m-phenetidine3'-ETHOXYACETANILIDE 99+%n-(3-ethoxyphenyl)-acetamid
RefChem:90389DTXCID9042542209-713-3591-33-33-ETHOXYACETANILIDEm-Acetophenetididem-EthoxyacetanilideMFCD00061110
Database identifiers
- CAS
591-33-3- PubChem CID
- 11570
- DTXSID
DTXSID8060450- UNII
- 0X00AE1BZW
- EC Number
- 209-713-3
- Nikkaji
- J21.558I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Experimental & physicochemical properties
LogP1.82
SolubilitySoluble (NTP, 1992)
Melting Point207 to 210 °F (NTP, 1992)
Physical DescriptionN-(3-ethoxyphenyl)acetamide is a gray plates (in H2O). (NTP, 1992)
Physicochemical properties
- Melting point
- 95 · 95-98 °C
- Boiling point
- 311.75 °C · 311.75°C (rough estimate)
- Density
- 1.1248 · 1.1248 (rough estimate)
- refractive index
- 1.495 · 1.4950 (estimate)
- pka
- 14.69 · 14.69±0.70(Predicted)
- color
- Plates
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 X00AE1BZW · 0X00AE1BZW
- EPA Substance Registry System
- 3 · 3'-Ethoxyacetanilide (591-33-3)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Reactive GroupAmides and Imides
Reactivity Profile
N-(3-ETHOXYPHENYL)ACETAMIDE is an example of an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).
Air and Water ReactionsWater soluble.
Safety & protection
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-(3-ethoxyphenyl)-: INACTIVE
Applications
General DescriptionGray plates (in H2O).
Suppliers24 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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