Completing data — refresh the page later to see the latest
Basic information
- CAS
40188-45-2- Standard SMILES
CCCC(=O)Nc1ccc(O)c(C(C)=O)c1- InChIKey
FGWZEOPEZISTTR-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.256 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- 3'-Acetyl-4'-hydroxybutyranilide
- IUPAC
- N-(3-Acetyl-4-hydroxyphenyl)butanamide
- English name
- 2-Acetyl-4-butyramidophenol
- Molecular formula
- C12H15NO3
- Molecular weight
- 221.25
Names & synonyms
LABOTEST-BB LT01143417Acebutolol EP IMpurity CAcebutolol impurity C CRSAcebuprolol EP Impurity C2-ACETYL-4-BUTYRAMIDOPHENOL2-Acetyl-4-ButyramidephenolAcebutolol Related CoMpound A2-Acetyl-4-butyrylaminophenolAcebutolol EP Impurity C (RC A )2-HYDROXY-5-BUTYRAMIDOACETOPHENOL
Database identifiers
- CAS
40188-45-2- PubChem CID
- 736331
- DTXSID
DTXSID7057737- ChEMBL
CHEMBL3184751- UNII
- 14QJB65R4V
- EC Number
- 254-831-0
- Nikkaji
- J332.381A
Properties
Physicochemical properties
- Melting point
- 120 · 120-126 °C (lit.)
- Boiling point
- 428 · 428.0±35.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- solid
- pka
- 10.37 · 10.37±0.31(Predicted)
- color
- Pale Beige
- InChI
- InChI=1S/C12H15NO3/c1-3-4-12(16)13-9-5-6-11(15)10(7-9)8(2)14/h5-7,15H,3-4H2,1-2H3,(H,13,16)
- InChIKey
- FGWZEOPEZISTTR-UHFFFAOYSA-N
- SMILES
- C(NC1=CC=C(O)C(C(C)=O)=C1)(=O)CCC
- CAS DataBase Reference
- 40188 · 40188-45-2(CAS DataBase Reference)
- FDA UNII
- 14 QJB65R4V · 14QJB65R4V
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 38 · 38
- Safety Statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2924296000
- risk_code
- 38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36/37
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesAcebutolol (A123800)
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北鑫立恒化工有限公司13164644252
杭州创引化工科技有限公司0571-87012927 13516718938 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
合肥瑞洛新材料科技有限公司19567218739 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
广州蓝宁生物科技有限公司15813355568 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…