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531-57-7

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Basic Information
CAS No.: 531-57-7
Name: AZURE C
Article Data: 2
Molecular Structure:
Molecular Structure of 531-57-7 (AZURE C)
Formula: C13H12N3S.Cl
Molecular Weight: 277.777
Synonyms: Azure C(6CI);Phenothiazin-5-ium, 3-amino-7-(methylamino)-, chloride (8CI,9CI);3-Amino-7-methylaminophenazathionium chloride;Monomethylthionine;Monomethylthionine chloride;
EINECS: 208-512-8
Boiling Point: 385.1 °C at 760 mmHg
Flash Point: 186.7 °C
Safety: 22-24/25
PSA: 79.18000
LogP: 1.01270
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Specification

The Azure C, with the CAS registry number 531-57-7, is also known as 3-Amino-7-methylaminophenothiazin-5-ium chloride. Its EINECS registry number is 208-512-8. This chemical's molecular formula is C13H12N3S.Cl and molecular weight is 277.77. What's more, both its IUPAC name and systematic name are the same which is called (7-Aminophenothiazin-3-ylidene)-methylazanium chloride. This chemical's classification code is Mutation data.

Physical properties about this chemical are: (1)#H bond acceptors: 3; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 50.94 Å2 (5)Boiling Point: 385.1 °C at 760 mmHg; (6)Flash Point: 186.7 °C.

When you are using this chemical, please be cautious about it as the follows, you should not breathe its dust and avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C[NH+]=C1C=CC2=NC3=C(C=C(C=C3)N)SC2=C1.[Cl-]
(2)InChI: InChI=1S/C13H11N3S.ClH/c1-15-9-3-5-11-13(7-9)17-12-6-8(14)2-4-10(12)16-11;/h2-7H,14H2,1H3;1H
(3)InChIKey: DDGMDTGNGDOUPX-UHFFFAOYSA-N