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628300-35-6

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Basic Information
CAS No.: 628300-35-6
Name: 2-Amino-N-methoxy-N-methyl-5-nitrobenzamide
Article Data: 2
Molecular Structure:
Molecular Structure of 628300-35-6 (2-Amino-N-methoxy-N-methyl-5-nitrobenzamide)
Formula: C9H11N3O4
Molecular Weight: 225.204
Synonyms: 2-amino-N-methoxy-N-methyl-5-nitro-benzamide;
Density: 1.363 g/cm3
Boiling Point: 484.5 °C at 760 mmHg
Flash Point: 246.8 °C
Appearance: yellow solid
PSA: 101.38000
LogP: 1.91480
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Specification

The systematic name of this chemcial is 2-Amino-N-methoxy-N-methyl-5-nitrobenzamide. With the CAS registry number 628300-35-6, it is a kind of yellow solid. It belongs to the following product categories: Chemical Amines; Aminmes; Aromatics. And the molecular formula of this chemical is C9H11N3O4.

The physical properties of 2-Amino-N-methoxy-N-methyl-5-nitrobenzamide are as following: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)#H bond acceptors: 7; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 101.38 Å2; (9)Index of Refraction: 1.608; (10)Molar Refractivity: 57.16 cm3; (11)Molar Volume: 165.2 cm3; (12)Polarizability: 22.66×10-24cm3; (13)Surface Tension: 59.5 dyne/cm; (14)Density: 1.363 g/cm3; (15)Flash Point: 246.8 °C; (16)Enthalpy of Vaporization: 74.98 kJ/mol; (17)Boiling Point: 484.5 °C at 760 mmHg; (18)Vapour Pressure: 1.53E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CN(C(=O)c1cc(ccc1N)[N+](=O)[O-])OC
(2)InChI: InChI=1/C9H11N3O4/c1-11(16-2)9(13)7-5-6(12(14)15)3-4-8(7)10/h3-5H,10H2,1-2H3
(3)InChIKey: SCQCSIBASAKKBM-UHFFFAOYAJ