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8006-34-6

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Basic Information
CAS No.: 8006-34-6
Name: AZURE B
Molecular Structure:
Molecular Structure of 8006-34-6 (AZURE B)
Formula: C15H16ClN3S
Molecular Weight: 305.83
Synonyms: Methylene Azure B;Azur B;
EINECS: 208-511-2
Melting Point: 205-210 °C (dec.)(lit.)
Safety: 22-24/25
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Specification

The CAS register number of Azur B is 8006-34-6. It also can be called as Methylene Azure B and the systematic name about this chemical is 3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium chloride. The molecular formula about this chemical is C15H16ClN3S and molecular weight is 305.83. When you are using it, please do not breathe vapour. In the using process, please avoid contact with skin and eyes.

Physical properties about Azur B are: (1)#H bond acceptors: 3; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 28.16Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].CN(C)c1cc2[s+]c3cc(NC)ccc3nc2cc1
(2)InChI: InChI=1/C15H16N3S.ClH/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;/h4-9,16H,1-3H3;1H/q+1;/p-1
(3)InChIKey: KFZNPGQYVZZSNV-REWHXWOFAE
(4)Std. InChI: InChI=1S/C15H16N3S.ClH/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;/h4-9,16H,1-3H3;1H/q+1;/p-1
(5)Std. InChIKey: KFZNPGQYVZZSNV-UHFFFAOYSA-M