Basic information
- CAS
2623-33-8- Standard SMILES
CC(=O)Nc1ccc(OC(C)=O)cc1- InChIKey
UJAOSPFULOFZRR-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Overview
Diacetamate is a small molecule drug. Diacetamate has a monoisotopic molecular weight of 193.07 Da.
Names & identifiers
- Preferred name
- Diacetamate
- IUPAC
- (4-acetamidophenyl) acetate
- English name
- 4-Acetoxyacetanilide
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.2
Names & synonyms
Diacetamate2623-33-84-Acetamidophenyl acetateP-ACETOXYACETANILIDEDiacetamatoDiacetamatumDTXSID2046256BFG1TY61BGN,o-diacetyl-4-aminophenoNSC-6083NSC-33893DTXCID0026256
Show more names
NSC 6083NSC 33893DiacetamatDiacetylaminophenolO-AcetylparacetamolACETAMINOPHENE IMP H4-Acetoxyacetanilide
NSC6083NSC33893DAPAPRefChem:586132N,O-diacetyl-p-aminophenolN,O-diacetyl-para-aminophenol220-077-64'-Acetoxyacetanilide
Database identifiers
- CAS
2623-33-8- PubChem CID
- 17499
- DTXSID
DTXSID2046256- ChEMBL
CHEMBL2106185- UNII
- BFG1TY61BG
- EC Number
- 220-077-6
- Nikkaji
- J7.636H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP0.8
Collision Cross Section
143.1 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
138.25 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 155 °C · 155°C
- Boiling point
- 329.41 °C · 329.41°C (rough estimate)
- Density
- 1.2307 · 1.2307 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- pka
- 14.41 · 14.41±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
- Water Solubility
- 0.32 g/L · 0.32g/L(25 ºC)
- CAS DataBase Reference
- 2623 · 2623-33-8(CAS DataBase Reference)
- FDA UNII
- 1 TY61BG · BFG1TY61BG
- EPA Substance Registry System
- 4 · 4-Acetoxyacetanilide (2623-33-8)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2924296000 · 2924296000
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.
Warning
H302 (20%): 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Diacetamate (EC: 220-077-6)
Hazard Classes and CategoriesSkin Irrit. 2 (20%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2924296000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H319
- REACH Registrations
- Active
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-[4-(acetyloxy)phenyl]-: INACTIVE
Applications
Usesanalgesic, antiinflammatory
UsesA synthetic impurity of Acetaminophen
General Description4′-Acetoxyacetanilide is an impurity of Acetaminophen, or Paracetamol as known internationally. This certified solution standard can be used for multiple HPLC applications including pharmaceutical testing, research, and Monograph testing methods. Acetaminophen belongs to a class of drugs called analgesics (pain relievers) and antipyretics (fever reducers).
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [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]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [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]
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]
孟成科技（上海）有限公司400-820-6829 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
深圳菲斯生物科技有限公司0755-83725681-603
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都迈斯克医药科技有限公司028-84552636 18084815636 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
西安美川生物科技有限公司029-89275612 +8618991951683 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
深圳卓越生物医药科技有限公司26050679 18318671572 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
四川普西奥标物科技有限公司13540909846 13882008651 · [email protected]
Related reactions
2 records
Compound notes
Loading…