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351421-17-5

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Basic Information
CAS No.: 351421-17-5
Name: 4'-ACETAMIDO-2-ACETOXY-4-DIMETHYLAMINO-2'-METHOXYCARBONYL-BENZOPHENONE
Molecular Structure:
Molecular Structure of 351421-17-5 (4'-ACETAMIDO-2-ACETOXY-4-DIMETHYLAMINO-2'-METHOXYCARBONYL-BENZOPHENONE)
Formula: C21H22N2O6
Molecular Weight: 398.41
Synonyms: 4'-Acetamido-2-acetoxy-4-dimethylamino-2'-methoxycarbonyl-benzophenone;5'-Acetamido-2-acetoxy-4-dimethylamino-2'-methoxycarbonyl-benzophenone;
Density: 1.268 g/cm3
Boiling Point: 636.8 °C at 760 mmHg
Flash Point: 338.9 °C
PSA: 102.01000
LogP: 2.72690
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    Benzoic acid,5-(acetylamino)-2-[2-(acetyloxy)-4-(dimethylamino)benzoyl]-, methyl ester

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  • 4-ACETAMIDO-2-ACETOXY-4-DIMETHYLAMINO-2-METHOXYCARBONYL- BENZOPHENONECAS

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    4-ACETAMIDO-2-ACETOXY-4-DIMETHYLAMINO-2-METHOXYCARBONYL- BENZOPHENONECAS

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    4-ACETAMIDO-2-ACETOXY-4-DIMETHYLAMINO-2-METHOXYCARBONYL- BENZOPHENONECASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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  • 4'-Acetamido-2-acetoxy-4-dimethylamino-2'-methoxycarbonylbenzophenone

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    4'-Acetamido-2-acetoxy-4-dimethylamino-2'-methoxycarbonylbenzophenone

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Specification

The Benzoic acid,5-(acetylamino)-2-[2-(acetyloxy)-4-(dimethylamino)benzoyl]-, methyl ester, with the CAS registry number 351421-17-5, is also known as 4'-Acetamido-2-acetoxy-4-dimethylamino-2'-methoxycarbonyl-benzophenone and 5'-Acetamido-2-acetoxy-4-dimethylamino-2'-methoxycarbonyl-benzophenone. It belongs to the product categories of Aromatics Compounds; Aromatics; Miscellaneous Reagents. This chemical's molecular formula is C21H22N2O6 and molecular weight is 398.41. What's more, its systematic name is Methyl 4-(acetylamino)-2-{[2-(acetyloxy)-4-(dimethylamino)phenyl]carbonyl}benzoate. In addition, this chemical is an intermediate used for the preparation of rhodamine derivatives as fluorescent labels.

Physical properties about Benzoic acid,5-(acetylamino)-2-[2-(acetyloxy)-4-(dimethylamino)benzoyl]-, methyl ester are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.81; (6)ACD/BCF (pH 7.4): 27.81; (7)ACD/KOC (pH 5.5): 376.19; (8)ACD/KOC (pH 7.4): 376.2; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 93.22 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 107.74 cm3; (15)Molar Volume: 314.1 cm3; (16)Polarizability: 42.71×10-24 cm3; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.268 g/cm3; (19)Flash Point: 338.9 °C; (20)Enthalpy of Vaporization: 94.07 kJ/mol; (21)Boiling Point: 636.8 °C at 760 mmHg; (22)Vapour Pressure: 4.09E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc2cc(ccc2C(=O)c1cc(NC(=O)C)ccc1C(=O)OC)N(C)C)C
(2) InChI: InChI=1/C21H22N2O6/c1-12(24)22-14-6-8-16(21(27)28-5)18(10-14)20(26)17-9-7-15(23(3)4)11-19(17)29-13(2)25/h6-11H,1-5H3,(H,22,24)
(3) InChIKey: GQQPQGQNOKOAAG-UHFFFAOYAZ