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97404-02-9

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Basic Information
CAS No.: 97404-02-9
Name: 2-[(4-aminophenyl)azo]-1,3-dimethyl-1H-imidazolium chloride
Molecular Structure:
Molecular Structure of 97404-02-9 (2-[(4-aminophenyl)azo]-1,3-dimethyl-1H-imidazolium chloride)
Formula: C11H14ClN5
Molecular Weight: 251.71536
Synonyms: 2-((4-Aminophenyl)azo)-1,3-dimethyl-1H-imidazolium chloride;
EINECS: 306-764-4
Density: 1.31 at 20.4℃
PSA: 59.55000
LogP: -0.56760
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Specification

The Basic Orange 31 is an organic compound with the formula C11H14ClN5. The IUPAC name of this chemical is 4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline chloride. With the CAS registry number 97404-02-9, it is also named as 2-[(4-aminophenyl)azo]-1,3-dimethyl-1H-imidazolium chloride.

Physical properties about Basic Orange 31 are: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 58.42 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].CN2/C=C\[NH+](C)C2N=Nc1ccc(N)cc1
(2)InChI: InChI=1/C11H15N5.ClH/c1-15-7-8-16(2)11(15)14-13-10-5-3-9(12)4-6-10;/h3-8,11H,12H2,1-2H3;1H
(3)InChIKey: HNHIXHZUQXUYPW-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C11H15N5.ClH/c1-15-7-8-16(2)11(15)14-13-10-5-3-9(12)4-6-10;/h3-8,11H,12H2,1-2H3;1H
(5)Std. InChIKey: HNHIXHZUQXUYPW-UHFFFAOYSA-N