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99616-64-5

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Basic Information
CAS No.: 99616-64-5
Name: 1-(2-hydroxyethyl)-2-methyl-5-nitroimidazole N-(5-carboxy-5-aminopentane)carbamate
Molecular Structure:
Molecular Structure of 99616-64-5 (1-(2-hydroxyethyl)-2-methyl-5-nitroimidazole N-(5-carboxy-5-aminopentane)carbamate)
Formula: C6H9N3O3
Molecular Weight: 171.154
Synonyms: 1-(2-Hydroxyethyl)-2-methyl-5-nitroimidazole N-(5-carboxy-5-aminopentane)carbamate;
Density: 1.45 g/cm3
Boiling Point: 405.4 °C at 760 mmHg
Flash Point: 199 °C
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    The APMN is an organic compound with the formula C6H9N3O3. The IUPAC name of this chemical is 2-(2-methyl-5-nitroimidazol-1-yl)ethanol. With the CAS registry number 99616-64-5, it is also named as 1H-imidazole-1-ethanol, 2-methyl-5-nitro-. Physic

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    APMN

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Specification

The APMN is an organic compound with the formula C6H9N3O3. The IUPAC name of this chemical is 2-(2-methyl-5-nitroimidazol-1-yl)ethanol. With the CAS registry number 99616-64-5, it is also named as 1H-imidazole-1-ethanol, 2-methyl-5-nitro-.

Physical properties about APMN are: (1)ACD/LogP: -0.01; (2)ACD/LogD (pH 5.5): -0.01; (3)ACD/LogD (pH 7.4): -0.01; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 23.4; (7)ACD/KOC (pH 7.4): 23.43; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 72.87 Å2; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 40.98 cm3; (14)Molar Volume: 117.8 cm3; (15)Polarizability: 16.24×10-24cm3; (16)Surface Tension: 60.4 dyne/cm; (17)Density: 1.45 g/cm3; (18)Flash Point: 199 °C; (19)Enthalpy of Vaporization: 69.28 kJ/mol; (20)Boiling Point: 405.4 °C at 760 mmHg; (21)Vapour Pressure: 2.67E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cnc(n1CCO)C
(2)InChI: InChI=1/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
(3)InChIKey: VAOCPAMSLUNLGC-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
(5)Std. InChIKey: VAOCPAMSLUNLGC-UHFFFAOYSA-N