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CAS No.: | 42191-48-0 |
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Name: | 2-(3,4-Dimethoxy-phenyl)-N-hydroxy-acetamidine |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C10H14N2O3 |
Molecular Weight: | 210.23 |
Synonyms: | Benzeneethanimidamide, N-hydroxy-3,4-dimethoxy-; |
Density: | 1.201 g/cm3 |
Boiling Point: | 396.375 °C at 760 mmHg |
Flash Point: | 193.521 °C |
PSA: | 77.07000 |
LogP: | 1.69300 |
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The 2-(3,4-Dimethoxy-phenyl)-N-hydroxy-acetamidine, with the CAS registry number 42191-48-0, is also known as Benzeneethanimidamide, N-hydroxy-3,4-dimethoxy-. It belongs to the product category of pharmacetical. This chemical's molecular formula is C10H14N2O3 and molecular weight is 210.23. What's more, both its IUPAC name and systematic name are the same which is called 2-(3,4-dimethoxyphenyl)-N'-hydroxyethanimidamide.
Physical properties about 2-(3,4-Dimethoxy-phenyl)-N-hydroxy-acetamidine are: (1)ACD/LogP: 0.436; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.29; (4)ACD/LogD (pH 7.4): 0.42; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.23; (7)ACD/KOC (pH 5.5): 29.62; (8)ACD/KOC (pH 7.4): 39.93; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 77.07 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 54.309 cm3; (15)Molar Volume: 175.106 cm3; (16)Polarizability: 21.53×10-24cm3; (17)Surface Tension: 40.427 dyne/cm; (18)Density: 1.201 g/cm3; (19)Flash Point: 193.521 °C; (20)Enthalpy of Vaporization: 68.199 kJ/mol; (21)Boiling Point: 396.375 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(cc1OC)CC(=NO)N)C
(2) InChI: InChI=1S/C10H14N2O3/c1-14-8-4-3-7(5-9(8)15-2)6-10(11)12-13/h3-5,13H,6H2,1-2H3,(H2,11,12)
(3) InChIKey: WJFPRBYVVFXVFB-UHFFFAOYSA-N