N-(4-Methoxyphenyl)Acetamide

HCID 5827
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Basic information

CAS
51-66-1
Standard SMILES
COc1ccc(NC(C)=O)cc1
InChIKey
XVAIDCNLVLTVFM-UHFFFAOYSA-N
Molecular formula
C9H11NO2
Average molar mass
165.19 g/mol
Monoisotopic mass
165.07897859

Overview

Methacetin is a member of the class of acetamides that is paracetamol in which the hydrogen of phenolic hydroxy group has been replaced by a methyl group. It is a member of acetamides and an aromatic ether. It is functionally related to a paracetamol and a p-anisidine.

Names & identifiers

Preferred name
N-(4-Methoxyphenyl)Acetamide
IUPAC
N-(4-methoxyphenyl)acetamide
English name
Methacetin
Molecular formula
C9H11NO2
Molecular weight
165.19

Names & synonyms

N-(4-Methoxyphenyl)acetamide51-66-14'-MethoxyacetanilideMethacetinp-Acetanisidinep-MethoxyacetanilideAceto-p-anisidideN-Acetyl-p-anisidineAcetyl-p-anisidineN-Acetyl-p-methoxyanilineNSC 4687DTXSID6026325
Show more names
p-acetaniside4-Methoxy acetanlideMetacetinacetaniside4-AcetanisideAURORA KA-3672MethacetinN-(4-p-Acetanasidine
13E468TFHPNSC-4687DTXCID806325CHEBI:139354RefChem:162178200-114-2p-Acetanisidide4-METHOXYACETANILIDE

Database identifiers

CAS
51-66-1
PubChem CID
5827
DTXSID
DTXSID6026325
ChEMBL
CHEMBL3183230
ChEBI
CHEBI:139354
UNII
13E468TFHP
EC Number
200-114-2
Nikkaji
J4.122J

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
12

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point
128 · 128-130 °C(lit.)
Boiling point
293.03 °C · 293.03°C (rough estimate)
Density
1.1603 · 1.1603 (rough estimate)
refractive index
1.5839 · 1.5839 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

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 47 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk
1
tsca
TSCA listed
rtecs
AE8290000
hs_code
29242990
Toxicity
LD50 orl-mus: 1190 mg/kg TXAPA9 19,20,71
risk_code
22-36/38

Chemistry & industry

Pharmacology

Metabolism/MetabolitesP-Methoxyacetanilide has known human metabolites that include acetaminophen.

Uses & manufacturing

General Manufacturing InformationAcetamide, N-(4-methoxyphenyl)-: ACTIVE
Applications · 1 item

UsesMethacetin is evaluated in a breath test to predict early liver disfunction due to valproic acid and other cause. Methacetin breath test (MBT) is a rapid, non-invasive assessment of liver function in acute severe liver disease and a potential key tool in future dignosis.

Upstream & downstream products

Upstream raw materials

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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
Additional notes · 1 item

DefinitionChEBI: Methacetin is a member of the class of acetamides that is paracetamol in which the hydrogen of phenolic hydroxy group has been replaced by a methyl group. It is a member of acetamides and an aromatic ether. It is functionally related to a p-anisidine and a paracetamol.

Related reactions

26 records
New reaction record

Compound notes

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