CAS No.797032-05-4,Ethyl 3-nitropyridin-4-yl(cyclopropyl)carbamate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	797032-05-4
Name:	Ethyl 3-nitropyridin-4-yl(cyclopropyl)carbamate

Formula:	C₁₁H₁₃N₃O₄
Molecular Weight:	251.242
Synonyms:	Ethyl cyclopropyl(3-nitropyridin-4-yl)carbamate;carbamic acid, N-cyclopropyl-N-(3-nitro-4-pyridinyl)-, ethyl ester;
Density:	1.409 g/cm³
Boiling Point:	381.4 °C at 760 mmHg
Flash Point:	184.5 °C
PSA:	88.25000
LogP:	2.63830

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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:
(1)SMILES: CCOC(=O)N(c1ccncc1[N+](=O)[O-])C2CC2
(2)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
(3)InChIKey: QEADMRWWIQXOIK-UHFFFAOYAY