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| CAS No.: | 24905-87-1 |
|---|---|
| Name: | 2-(4-Amino-3-nitroanilino)ethanol |
| Molecular Structure: | |
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| Formula: | C8H11N3O3 |
| Molecular Weight: | 197.194 |
| Synonyms: | Ethanol,2-(4-amino-3-nitroanilino)- (6CI,7CI,8CI);2-Amino-5-(2-hydroxyethylamino)nitrobenzene;2-Amino-5-(N-b-hydroxyethylamino)nitrobenzene;2-Nitro-4-(b-hydroxyethylamino)aniline;HCRed 7;HC Red No. 7; |
| EINECS: | 246-521-9 |
| Density: | 1.439 g/cm3 |
| Melting Point: | 93-95 °C |
| Boiling Point: | 436.6 °C at 760 mmHg |
| Flash Point: | 217.9 °C |
| Appearance: | Deep brown crystal powder |
| PSA: | 104.10000 |
| LogP: | 1.75860 |
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Specification
The 2-(4-Amino-3-nitroanilino)ethanol is a chemical compound with cas registry number of 24905-87-1. It is also known as 4-(2-Hydroxyethyl)amino-2-nitroaniline; HC RED 7. Both its systematic name and IUPAC name are the same which is called 2-(4-amino-3-nitroanilino)ethanol. It has an appearance of deep brown crystal powder with EINECS registry number of 246-521-9.
The Physical properties about this chemical are: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/LogD (pH 7.4): 0.6; (5)ACD/BCF (pH 5.5): 1.66; (6)ACD/BCF (pH 7.4): 1.67; (7)ACD/KOC (pH 5.5): 49.89; (8)ACD/KOC (pH 7.4): 50.28; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.697; (13)Molar Refractivity: 52.81 cm3; (14)Molar Volume: 137 cm3 ; (15)Surface Tension: 75.5 dyne/cm; (16)Density: 1.439 g/cm3; (17)Flash Point: 217.9 °C; (18)Enthalpy of Vaporization: 73.06 kJ/mol; (19)Boiling Point: 436.6 °C at 760 mmHg; (20)Vapour Pressure: 2.14E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(ccc1N)NCCO;
(2)InChI: InChI=1/C8H11N3O3/c9-7-2-1-6(10-3-4-12)5-8(7)11(13)14/h1-2,5,10,12H,3-4,9H2;
(3)InChIKey: DAGCJJZWDAVKRE-UHFFFAOYAQ