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261789-00-8

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Basic Information
CAS No.: 261789-00-8
Name: 2C-N
Article Data: 6
Molecular Structure:
Molecular Structure of 261789-00-8 (2C-N)
Formula: C10H14N2O4
Molecular Weight: 226.232
Synonyms: 2,5-Dimethoxy-4-nitro-benzeneethanamine;2-(2,5-Dimethoxy-4-nitrophenyl)ethanamine;
Density: 1.218 g/cm3
Boiling Point: 394.43 °C at 760 mmHg
Flash Point: 192.344 °C
PSA: 90.30000
LogP: 2.33670
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Specification

The Benzeneethanamine, 2,5-dimethoxy-4-nitro-, with the CAS registry number 261789-00-8, is also known as 2,5-Dimethoxy-4-nitro-benzeneethanamine. This chemical's molecular formula is C10H14N2O4 and molecular weight is 226.10. What's more, its systematic name is 2-(2,5-Dimethoxy-4-nitrophenyl)ethanamine.

Physical properties of Benzeneethanamine, 2,5-dimethoxy-4-nitro- are: (1)ACD/LogP: 1.239; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.65; (4)ACD/LogD (pH 7.4): -0.18; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 4.26; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 90.3 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 59.24 cm3; (15)Molar Volume: 185.774 cm3; (16)Polarizability: 23.485×10-24cm3; (17)Surface Tension: 45.2130012512207 dyne/cm; (18)Density: 1.218 g/cm3; (19)Flash Point: 192.344 °C; (20)Enthalpy of Vaporization: 64.445 kJ/mol; (21)Boiling Point: 394.43 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(OC)c(cc1OC)CCN
(2)Std. InChI: InChI=1S/C10H14N2O4/c1-15-9-6-8(12(13)14)10(16-2)5-7(9)3-4-11/h5-6H,3-4,11H2,1-2H3
(3)Std. InChIKey: ZMUSDZGRRJGRAO-UHFFFAOYSA-N