| Identification | |
| Name: | Carbamic acid,cyclopropyl(3-nitro-4-pyridinyl)-, ethyl ester (9CI) |
| Synonyms: | Ethyl cyclopropyl(3-nitropyridin-4-yl)carbamate;carbamic acid, N-cyclopropyl-N-(3-nitro-4-pyridinyl)-, ethyl ester; |
| CAS: | 797032-05-4 |
| Molecular Formula: | C11H13N3O4 |
| Molecular Weight: | 251.24 |
| InChI: | InChI=1/C11H13N3O4/c1-2-18-11(15)13(8-3-4-8)9-5-6-12-7-10(9)14(16)17/h5-8H,2-4H2,1H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.409 |
| Refractive index: | 1.63 |
| Specification: |
The Ethyl 3-nitropyridin-4-yl(cyclopropyl)carbamate, with the CAS registry number 797032-05-4, has the systematic name of carbamic acid, N-cyclopropyl-N-(3-nitro-4-pyridinyl)-, ethyl ester. And the molecular formula of the chemical is C11H13N3O4. The characteristics of Ethyl 3-nitropyridin-4-yl(cyclopropyl)carbamate are as followings: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.57; (6)ACD/BCF (pH 7.4): 8.6; (7)ACD/KOC (pH 5.5): 161.8; (8)ACD/KOC (pH 7.4): 162.37; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 88.25 Å2; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 63.44 cm3; (15)Molar Volume: 178.2 cm3; (16)Polarizability: 25.15×10-24cm3; (17)Surface Tension: 67.2 dyne/cm; (18)Density: 1.409 g/cm3; (19)Flash Point: 184.5 °C; (20)Enthalpy of Vaporization: 62.97 kJ/mol; (21)Boiling Point: 381.4 °C at 760 mmHg; (22)Vapour Pressure: 5.07E-06 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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