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54029-61-7

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Basic Information
CAS No.: 54029-61-7
Name: 1-Amino-2-nitro-4-methoxy-O-methyl-benzene
Article Data: 2
Molecular Structure:
Molecular Structure of 54029-61-7 (1-Amino-2-nitro-4-methoxy-O-methyl-benzene)
Formula: C8H10N2O4
Molecular Weight: 183.18
Synonyms: 1-Amino-2-nitro-4-methoxy-O-methyl-benzene;
Density: 1.317 g/cm3
Boiling Point: 375 °C at 760 mmHg
Flash Point: 180.6 °C
Appearance: Orange crystalline solid
PSA: 90.30000
LogP: 2.26410
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Specification

The Benzenamine, 4-(methoxymethoxy)-2-nitro-, with the CAS registry number 54029-61-7, is also known as 1-Amino-2-nitro-4-methoxy-O-methyl-benzene. It belongs to the product categories of Chemical Amines; Amines; Aromatics. This chemical's molecular formula is C8H10N2O4 and molecular weight is 183.18. What's more, its systematic name is 4-(methoxymethoxy)-2-nitroaniline.

Physical properties of Benzenamine, 4-(methoxymethoxy)-2-nitro- are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 6.18; (6)ACD/BCF (pH 7.4): 6.18; (7)ACD/KOC (pH 5.5): 128.24; (8)ACD/KOC (pH 7.4): 128.25; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 90.3 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 50.09 cm3; (15)Molar Volume: 150.4 cm3; (16)Polarizability: 19.85×10-24cm3; (17)Surface Tension: 52.3 dyne/cm; (18)Density: 1.317 g/cm3; (19)Flash Point: 180.6 °C; (20)Enthalpy of Vaporization: 62.24 kJ/mol; (21)Boiling Point: 375 °C at 760 mmHg; (22)Vapour Pressure: 8.05E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1cc(OCOC)ccc1N
(2)Std. InChI: InChI=1S/C8H10N2O4/c1-13-5-14-6-2-3-7(9)8(4-6)10(11)12/h2-4H,5,9H2,1H3
(3)Std. InChIKey: JYMLEEMEKCPXBF-UHFFFAOYSA-N