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p-Acetoxyacetanilide

p-Acetoxyacetanilide structure

CAS No:
2623-33-8
Formula:
C10H11NO3
Chemical Name:
p-Acetoxyacetanilide
Synonyms:
Acetamide,N-[4-(acetyloxy)phenyl]-;Acetanilide,4′-hydroxy-,acetate (ester);Acetanilide,4′-hydroxy-,acetate;N-[4-(Acetyloxy)phenyl]acetamide;4-Acetamidophenyl acetate;Acetaminophen acetate;p-Acetoxyacetanilide;Diacetamate;4′-Acetoxyacetanilide;N-Acetyl-4-aminophenyl acetate;p-Acetamidophenyl acetate;NSC 33893;NSC 6083;N-(4-Acetoxyphenyl)acetamide;O-Acetylparacetamol;4-Acetylaminophenyl acetate
Categories:
Analytical Chemistry > Analysis Reagents

Description

4-Acetamidophenyl acetate is an impurity of Acetaminophen (paracetamol). Acetaminophen, an analgesic drug, is a selective COX-2 inhibitor (IC50=25.8 μM), and is a potent hepatic N-acetyltransferase 2 (NAT2) inhibitor[1][2].

p-Acetoxyacetanilide Basic Attributes

Molecular Weight：

193.2

Exact Mass：

193.20

EC Number：

220-077-6

UNII：

BFG1TY61BG

NSC Number：

758889|33893|6083

DSSTox ID：

DTXSID2046256

HScode：

2924299090

Characteristics

PSA：

55.4

XLogP3：

0.60

Appearance：

White solid

Density：

1.2±0.1 g/cm3

Melting Point：

151.5-152.5 °C

Boiling Point：

376.4±25.0 °C at 760 mmHg

Flash Point：

181.4±23.2 °C

Refractive Index：

1.561

Water Solubility：

0.32g/L(25 ºC)

Storage Conditions：

Refrigerator

Vapor Pressure：

7.27E-06mmHg at 25°C

Collision Cross Section：

143.1 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Precautionary statement(s)：

P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

DAPAP

p-Acetoxyacetanilide Use and Manufacturing

Uses

A synthetic impurity of Acetaminophen

Manufacturing Info：

Acetamide, N-[4-(acetyloxy)phenyl]-: INACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:193.20
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:193.07389321
Monoisotopic Mass:193.07389321
Topological Polar Surface Area:55.4
Heavy Atom Count:14
Complexity:219
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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N,O-DIACETYL-4-AMINOPHENOL

CAS No.: 2623-33-8

Content: 99.00%

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Guide of p-Acetoxyacetanilide

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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