3-[(2-methylphenyl)carbamoyl]naphthalen-2-yl acetate

• ChemBase ID: 102640
• Molecular Formular: C20H17NO3
• Molecular Mass: 319.35388
• Monoisotopic Mass: 319.12084341
• SMILES: CC(=O)Oc1cc2c(cccc2)cc1C(=O)Nc1ccccc1C
• Canonical SMILES: CC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccccc1C
• InChI: InChI=1S/C20H17NO3/c1-13-7-3-6-10-18(13)21-20(23)17-11-15-8-4-5-9-16(15)12-19(17)24-14(2)22/h3-12H,1-2H3,(H,21,23)
• InChIKey: PMRFWCJXRSRVPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-methylphenyl)carbamoyl]naphthalen-2-yl acetate
• IUPAC Traditional name: 3-[(2-methylphenyl)carbamoyl]naphthalen-2-yl acetate
• Synonyms: Naphthol AS-D acetate; 3-Acetoxy-2'-methyl-2-naphthanilide; 3-(Acetyloxy)-N-(2-methylphenyl)-2-naphthalenecarboxamide; NAPHTHOL AS-D ACETATE; 3-(乙酰氧基)-N-(2-甲基苯基)-2-萘甲酰胺; 萘酚 AS-D 乙酸酯

Database IDs

• CAS Number: 528-66-5
• EC Number: 208-439-1
• MDL Number: MFCD00042713
• Beilstein Number: 2666666
• PubChem SID: 24897600; 24886091; 162089279
• PubChem CID: 3562787

CALCULATED PROPERTIES

• Acid pKa: 11.583882
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.1752896
• LogD (pH = 7.4): 4.175263
• Log P: 4.1752896
• Molar Refractivity: 94.2153 cm^3
• Polarizability: 36.656464 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167-169 °C

Safety Information

• Storage Condition: 0°C
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C; 2-8°C

Product Information

• Purity: ≥95.0% (HPLC)
• Grade: for histology
• Empirical Formula (Hill Notation): C20H17NO3

DETAILS

MP Biomedicals - 02102420

Naphthol Free
Crystalline
Substrate for histochemical location of esterases.

Sigma Aldrich - N2875

Substrates
酯酶组织化学定位的底物

Sigma Aldrich - 70472

Application
Substrate for the histochemical location of esterases