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2-[N-(2,4-Dimethylphenyl)carbamoyl]-3-naphthyl acetate

HCID 78324
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Basic information

CAS
4569-00-0
Standard SMILES
CC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccc(C)cc1C
InChIKey
FMPROMIJBCXFNJ-UHFFFAOYSA-N
Molecular formula
C21H19NO3
Average molar mass
333.4 g/mol
Monoisotopic mass
333.13649347

Names & identifiers

Preferred name
2-[N-(2,4-Dimethylphenyl)carbamoyl]-3-naphthyl acetate
IUPAC
[3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl] acetate
English name
Naphthol as-mx acetate
Molecular formula
C21H19NO3
Molecular weight
333.38

Names & synonyms

4569-00-0NAPHTHOL AS-MX ACETATE2-[N-(2,4-Dimethylphenyl)carbamoyl]-3-naphthyl acetate[3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl] acetate3-((2,4-Dimethylphenyl)carbamoyl)naphthalen-2-yl acetate3-(Acetyloxy)-N-(2,4-dimethylphenyl)-2-naphthalenecarboxamide2-(N-(2,4-Dimethylphenyl)carbamoyl)-3-naphthyl acetate3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl acetateacetic acid [3-[(2,4-dimethylanilino)-oxomethyl]-2-naphthalenyl] esterEINECS 224-950-2naphthol as-mx-acetateNaphthol- AS-MX-acetat
Show more names
NAPHTHOL AS-MX-ACETATE, FOR HISTOLOGY[3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl] ethanoate2-Naphthalenecarboxamide, 3-(acetyloxy)-N-(2,4-dimethylphenyl)-acetic acid [3-[(2,4-dimethylphenyl)carbamoyl]-2-naphthyl] esterAcetic acid 3-[[(2,4-dimethylphenyl)amino]carbonyl]-2-naphtyl ester
MG28C4DU54DTXSID20196595FMPROMIJBCXFNJ-UHFFFAOYSA-NAKOS015913257EN70265DB-020293NS00031554ST51016111

Database identifiers

CAS
4569-00-0
PubChem CID
78324
DTXSID
DTXSID20196595
UNII
MG28C4DU54
EC Number
224-950-2
Nikkaji
J297.825C

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
55.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
25
Formal charge
0
Complexity
492

Physicochemical properties

Boiling point
444.9 · 444.9±45.0 °C(Predicted)
Density
1.222 · 1.222±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
12.68 · 12.68±0.70(Predicted)
WGK Germany
3 · 3
F
10 · 10-21

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

F
10-21
wgk
3

Chemistry & industry

Applications

UsesNaphthol AS-MX acetate is a substrate for in lipase Disc-electrophoretic detection.

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Compound notes

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