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5338-44-3

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5338-44-3 Structure

5338-44-3 Structure
IdentificationBack Directory
[Name]

4-(ACETYLAMINO)-BENZOIC ACID ETHYL ESTER
[CAS]

5338-44-3
[Synonyms]

RARECHEM AL BI 0078
ETHYL 4-ACETAMIDOBENZOATE
4-acetamidobenzoic acid ethyl ester
p-(Acetylamino)benzoic acid ethyl ester
4-(ACETYLAMINO)-BENZOIC ACID ETHYL ESTER
Benzoic acid, 4-(acetylamino)-, ethyl ester
[Molecular Formula]

C11H13NO3
[MDL Number]

MFCD00157645
[MOL File]

5338-44-3.mol
[Molecular Weight]

207.23
Chemical PropertiesBack Directory
[Melting point ]

181 °C
[Boiling point ]

390.8±25.0 °C(Predicted)
[density ]

1.171±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly)
[form ]

Solid
[pka]

14.59±0.70(Predicted)
[color ]

White
[Major Application]

pharmaceutical small molecule
[InChI]

1S/C11H13NO3/c1-3-15-11(14)9-4-6-10(7-5-9)12-8(2)13/h4-7H,3H2,1-2H3,(H,12,13)
[InChIKey]

NHLOBHNRBWKNIO-UHFFFAOYSA-N
[SMILES]

N(c1ccc(cc1)C(=O)OCC)C(=O)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P264-P280-P337+P313-P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Ethyl 4-acetamidobenzoate is a reagent that is used in the synthesis of DAMPA-d3, which is a labeleld antitumor agent.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(ACETYLAMINO)-BENZOIC ACID ETHYL ESTER(5338-44-3)MS
4-(ACETYLAMINO)-BENZOIC ACID ETHYL ESTER(5338-44-3)1HNMR
4-(ACETYLAMINO)-BENZOIC ACID ETHYL ESTER(5338-44-3)IR1
4-(ACETYLAMINO)-BENZOIC ACID ETHYL ESTER(5338-44-3)IR2
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