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| CAS No.: | 23920-15-2 |
|---|---|
| Name: | 1-[(2'-Methoxyethyl)amino]-2-nitro-4-[di-(2'-hydroxyethyl)amino]benzene |
| Molecular Structure: | |
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| Formula: | C13H21N3O5 |
| Molecular Weight: | 299.327 |
| Synonyms: | Ethanol,2,2'-[[4-[(2-methoxyethyl)amino]-3-nitrophenyl]imino]di- (8CI); |
| EINECS: | 607-292-4 |
| Density: | 1.324 g/cm3 |
| Boiling Point: | 538.371 °C at 760 mmHg |
| Flash Point: | 279.397 °C |
| PSA: | 110.78000 |
| LogP: | 1.04030 |
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Specification
The 1-[(2'-Methoxyethyl)amino]-2-nitro-4-[di-(2'-hydroxyethyl)amino]benzene is a chemical compound with formula C13H21N3O5. Its cas registry number is 23920-15-2. This chemical is also known as 2,2'-[[4-[(2-Methoxyethyl)amino]-3-nitrophenyl]imino]bis-ethanol; HC Blue 11.
Physical properties about this chemical are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 74; (8)ACD/KOC (pH 7.4): 92; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 12; (12)Index of Refraction: 1.626; (13)Molar Refractivity: 80.068 cm3; (14)Molar Volume: 226.124 cm3; (15)Surface Tension: 62.557 dyne/cm; (16)Density: 1.324 g/cm3; (17)Flash Point: 279.397 °C; (18)Enthalpy of Vaporization: 85.833 kJ/mol; (19)Boiling Point: 538.371 °C at 760 mmHg.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES: OCCN(CCO)c1ccc(NCCOC)c(c1)N(=O)=O;
(2)InChI: InChI=1/C13H21N3O5/c1-21-9-4-14-12-3-2-11(10-13(12)16(19)20)15(5-7-17)6-8-18/h2-3,10,14,17-18H,4-9H2,1H3;
(3)InChIKey:YCAQIPZHGGRGEI-UHFFFAOYAH