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| CAS No.: | 52898-49-4 |
|---|---|
| Name: | 4,N-Dimethoxy-N-methylbenzamide |
| Article Data: | 71 |
| Molecular Structure: | |
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| Formula: | C10H13NO3 |
| Molecular Weight: | 195.218 |
| Synonyms: | 4,N-Dimethoxy-N-methylbenzamide |
| Density: | 1.114 g/cm3 |
| Boiling Point: | 345.6 °C at 760 mmHg |
| Flash Point: | 162.8 °C |
| PSA: | 38.77000 |
| LogP: | 1.32860 |
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Specification
The 4,N-Dimethoxy-N-methylbenzamide, with CAS registry number 52898-49-4, has the systematic name of N,4-dimethoxy-N-methylbenzamide. Besides this, it is also called benzamide, N,4-dimethoxy-N-methyl-. And the chemical formula of this chemical is C10H13NO3.
Physical properties of 4,N-Dimethoxy-N-methylbenzamide: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): 1.6; (5)ACD/BCF (pH 5.5): 9.75; (6)ACD/BCF (pH 7.4): 9.75; (7)ACD/KOC (pH 5.5): 177.61; (8)ACD/KOC (pH 7.4): 177.61; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 53.05 cm3; (15)Molar Volume: 175 cm3; (16)Polarizability: 21.03×10-24cm3; (17)Surface Tension: 37.8 dyne/cm; (18)Enthalpy of Vaporization: 58.97 kJ/mol; (19)Vapour Pressure: 6.1E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)C(=O)N(C)OC
(2)InChI: InChI=1/C10H13NO3/c1-11(14-3)10(12)8-4-6-9(13-2)7-5-8/h4-7H,1-3H3
(3)InChIKey: FIRHLPVYIMMZPV-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H13NO3/c1-11(14-3)10(12)8-4-6-9(13-2)7-5-8/h4-7H,1-3H3
(5)Std. InChIKey: FIRHLPVYIMMZPV-UHFFFAOYSA-N