Basic information
- CAS
19246-04-9- Standard SMILES
CC(=O)Nc1ccccc1C(C)C- InChIKey
PTHQJQDKJOVFRD-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- N-(2-isopropylphenyl)acetamide
- IUPAC
- N-(2-propan-2-ylphenyl)acetamide
- English name
- 2-ISOPROPYLACETANILIDE
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
19246-04-9N-(2-isopropylphenyl)acetamideN1-(2-Isopropylphenyl)acetamide2'-IsopropylacetanilideAcetamide, N-[2-(1-methylethyl)phenyl]-N-(2-propan-2-ylphenyl)acetamideMFCD00833396N-[2-(propan-2-yl)phenyl]acetamideN-[2-(methylethyl)phenyl]acetamideMaybridge1_000112MixCom1_000222SCHEMBL757161
Show more names
Compound Fr123262-ISOPROPYLACETANILIDE2-Isopropylphenylacetamide2-Isopropylacetanilide, 97+%2′-Isopropylacetanilide, CAS 19246-04-9
orb3169947DTXSID60876501Fr12326SBB089300AKOS002960250TS-02467CS-0324077ST50407227
Database identifiers
- CAS
19246-04-9- PubChem CID
- 2736684
- DTXSID
DTXSID60876501- EC Number
- 678-823-5
- Nikkaji
- J845.688G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 177
Experimental & physicochemical properties
LogP1.71
Physicochemical properties
- Melting point
- 72 · 72-74°C
- Boiling point
- 319.196 · 319.196±21.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.027 · 1.027±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.092 · 15.092±0.70(predicted)
- CAS DataBase Reference
- 19246 · 19246-04-9
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26-36/37
- Hazard Note
- Irritant
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. Each notification may be associated with multiple companies.
Safety data
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2''-Isopropylacetanilide is an intermediate used to prepare SR 142948 (S684350) which is an antagonist of NT1/NT2 receptors inhibiting bile acid secretion.
Upstream & downstream products
Upstream raw materials
Suppliers13 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
扬州思域化工有限公司0514-87325867 · [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]
阳谷荣科商贸有限公司15863541132 · [email protected]
济南荣科药业有限公司18615606162 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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