Home >> Chemicals Listing >> hot product list by N  

N-Acetoacetyl cresidine (85968-72-5)

Identification
Name:N-Acetoacetyl cresidine
Synonyms:N-(2-methoxy-5-methyl-phenyl)-3-oxo-butanamide;ACETOACET-P-CRESIDINE;N-Acetoacet Cresidine;butanamide, N-(2-methoxy-5-methylphenyl)-3-oxo-;
CAS:85968-72-5
Molecular Formula: C12H15O3N
Molecular Weight: 221.25
InChI: InChI=1/C12H15NO3/c1-8-4-5-11(16-3)10(6-8)13-12(15)7-9(2)14/h4-6H,7H2,1-3H3,(H,13,15)
Molecular Structure: (C12H15O3N) N-(2-methoxy-5-methyl-phenyl)-3-oxo-butanamide;ACETOACET-P-CRESIDINE;N-Acetoacet Cresidine;butanamid...
Properties
Density:1.146
Refractive index:1.548
Specification:

The N-Acetoacetyl cresidine with the CAS number 85968-72-5 is also called butanamide, N-(2-methoxy-5-methylphenyl)-3-oxo-. Both the systematic name and IUPAC name are N-(2-methoxy-5-methylphenyl)-3-oxobutanamide. Its molecular formula is C12H15O3N.

The properties of the chemical are: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.2; (5)ACD/BCF (pH 5.5): 4.86; (6)ACD/BCF (pH 7.4): 4.83; (7)ACD/KOC (pH 5.5): 107.89; (8)ACD/KOC (pH 7.4): 107.29; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 61.32 cm3; (15)Molar Volume: 192.9 cm3; (16)Polarizability: 24.31×10-24cm3; (17)Surface Tension: 41.5 dyne/cm; (18)Enthalpy of Vaporization: 62.36 kJ/mol; (19)Vapour Pressure: 7.46×10-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)CC(=O)Nc1cc(ccc1OC)C
(2)InChI: InChI=1/C12H15NO3/c1-8-4-5-11(16-3)10(6-8)13-12(15)7-9(2)14/h4-6H,7H2,1-3H3,(H,13,15)
(3)InChIKey: BZKDEDRZTISGLD-UHFFFAOYAW

Safety Data
 

Other Product