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| CAS No.: | 84434-41-3 |
|---|---|
| Name: | 5-(phenylazo)toluene-2,4-diamine monoacetate |
| Molecular Structure: | |
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| Formula: | C15H18N4O2 |
| Molecular Weight: | 286.33 |
| Synonyms: | 1,3-Benzenediamine, 4-methyl-6-(phenylazo)-, monoacetate;5-(Phenylazo)toluene-2,4-diamine monoacetate;C.I. basic orange 1 acetate 1,3-benzenediamine, 4-methyl-6-(phenylazo)-, acetate;Acetic acid; 4-methyl-6-phenylazo-benzene-1,3-diamine;Acetic acid; 4-methyl-6-phenyldiazenyl-benzene-1,3-diamine; |
| EINECS: | 282-839-4 |
| Boiling Point: | 556 °C at 760 mmHg |
| Flash Point: | 290.1 °C |
| PSA: | 114.06000 |
| LogP: | 4.82810 |
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Specification
The 1,3-Benzenediamine, 4-methyl-6-(2-phenyldiazenyl)-, acetate (1:1), with the CAS registry number 84434-41-3, is also known as 5-(Phenylazo)toluene-2,4-diamine monoacetate. It belongs to the product category of Organics. This chemical's molecular formula is C15H18N4O2 and molecular weight is 286.33. What's more, its systematic name is acetic acid; 4-methyl-6-phenylazo-benzene-1,3-diamine.
Physical properties of 1,3-Benzenediamine, 4-methyl-6-(2-phenyldiazenyl)-, acetate (1:1) are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.47; (4)#H bond acceptors: 6; (5)#H bond donors: 5; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 114.06 Å2; (8)Flash Point: 290.1 °C; (9)Enthalpy of Vaporization: 88.12 kJ/mol; (10)Boiling Point: 556 °C at 760 mmHg; (11)Vapour Pressure: 3.37E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(O)=O.Cc2cc(N=Nc1ccccc1)c(N)cc2N
(2)InChI: InChI=1S/C13H14N4.C2H4O2/c1-9-7-13(12(15)8-11(9)14)17-16-10-5-3-2-4-6-10;1-2(3)4/h2-8H,14-15H2,1H3;1H3,(H,3,4)
(3)InChIKey: TWECYHKZAYJTQK-UHFFFAOYSA-N