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Name |
1,2-Ethanediamine,N1-(2,4-dinitrophenyl)- |
EINECS | N/A |
CAS No. | 28767-75-1 | Density | 1.48 g/cm3 |
PSA | 129.69000 | LogP | 2.69330 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H10N4O4 | Boiling Point | 429.6 °C at 760 mmHg |
Molecular Weight | 226.192 | Flash Point | 213.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,2-Ethanediamine,N-(2,4-dinitrophenyl)- (9CI);Ethylenediamine, N-(2,4-dinitrophenyl)-(6CI,8CI);(2,4-Dinitrophenyl)ethylenediamine;N-(2,4-Dinitrophenyl)ethylenediamine;N-(2-Aminoethyl)-2,4-dinitroaniline; |
Article Data | 11 |
This chemical is called 1,2-Ethanediamine,N1-(2,4-dinitrophenyl)-, and its systematic name is N-(2,4-dinitrophenyl)ethane-1,2-diamine. With the molecular formula of C8H10N4O4, its molecular weight is 226.19. The CAS registry number of this chemical is 28767-75-1.
Other characteristics of the 1,2-Ethanediamine,N1-(2,4-dinitrophenyl)- can be summarised as followings: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.28; (4)ACD/LogD (pH 7.4): 0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 4.59; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 98.12 Å2; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 57.12 cm3; (15)Molar Volume: 152.7 cm3; (16)Polarizability: 22.64×10-24cm3; (17)Surface Tension: 72.6 dyne/cm; (18)Density: 1.48 g/cm3; (19)Flash Point: 213.6 °C; (20)Enthalpy of Vaporization: 68.49 kJ/mol; (21)Boiling Point: 429.6 °C at 760 mmHg; (22)Vapour Pressure: 1.38E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1ccc(NCCN)c(c1)[N+]([O-])=O
2.InChI: InChI=1/C8H10N4O4/c9-3-4-10-7-2-1-6(11(13)14)5-8(7)12(15)16/h1-2,5,10H,3-4,9H2
3.InChIKey: AIUKPEQJKQUQKZ-UHFFFAOYAQ