Acetamide, N-(3-methoxyphenyl)-

HCID 11494

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Basic information

CAS: 588-16-9
Standard SMILES: COc1cccc(NC(C)=O)c1
InChIKey: OIEFZHJNURGFFI-UHFFFAOYSA-N
Molecular formula: C9H11NO2
Average molar mass: 165.19 g/mol
Monoisotopic mass: 165.07897859

Names & identifiers

Preferred name: Acetamide, N-(3-methoxyphenyl)-
IUPAC: N-(3-methoxyphenyl)acetamide
English name: 3'-METHOXYACETANILIDE
Molecular formula: C9H11NO2
Molecular weight: 165.19

Names & synonyms

N-(3-Methoxyphenyl)acetamideN-Acetyl-m-anisidinem-Acetanisidinem-MethoxyacetanilideAceto-m-anisididem-ACETANISIDIDEAcetamide, N-(3-methoxyphenyl)-Acetanilide, 3'-methoxy-NSC 4005EINECS 209-611-9BRN 0638154RefChem:551703

Show more names

Acetyl-m-anisidineMETA-ACETANISIDIDEN-(3-Methoxyphenyl)

3'-Methoxyacetanilide588-16-93-Methoxyacetanilide3-AcetamidoanisoleMFCD00123297N-(3-Methoxy-phenyl)-acetamide3-acetamidoanisolNSC4005

Database identifiers

CAS: 588-16-9
PubChem CID: 11494
DTXSID: DTXSID1060421
EC Number: 209-611-9
Nikkaji: J6.746F

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 159

Experimental & physicochemical properties

LogP1.28

Physicochemical properties

Melting point: 103 ℃ · 103℃
Boiling point: 293.03 °C · 293.03°C (rough estimate)
Density: 1.127 · 1.127
refractive index: 1.527 · 1.5270 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Acetone, DCM, DMSO, Methanol, Water
form: solid
pka: 14.66 · 14.66±0.70(Predicted)
color: Pale yellow
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 3 · 3-Methoxyacetanilide (588-16-9)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 2924297099 · 2924297099
Toxicity: 50 orl-mus: · LD50 orl-mus: 1100 mg/kg TXAPA9 19,20,71

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca: TSCA listed
hs_code: 2924297099
Toxicity: LD50 orl-mus: 1100 mg/kg TXAPA9 19,20,71
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationAcetamide, N-(3-methoxyphenyl)-: INACTIVE

Applications

UsesN-(3-Methoxyphenyl)acetamide-d4 is an intermediate in the synthesis of 4-Aminosalicylic Acid-d3 (A629222), which is a labelled analogue of 4-Aminosalicylic Acid (A629220), an antibiotic used to treat tuberculosis.