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73570-52-2

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Basic Information
CAS No.: 73570-52-2
Name: BASIC BLUE 3
Molecular Structure:
Molecular Structure of 73570-52-2 (BASIC BLUE 3)
Formula: C20H26N3O.NO3
Molecular Weight: 386.44500
Synonyms: Phenoxazin-5-ium, 3,7-bis(diethylamino)-, nitrate (9CI);
EINECS: 277-539-5
Density: 1.35[at 20℃]
Melting Point: 205ºC (dec.)(lit.)
Solubility: 1.33g/L at 20℃
Safety: 22-24/25
PSA: 101.39000
LogP: 5.23860
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Specification

The Phenoxazin-5-ium, 3,7-bis(diethylamino)-, nitrate, with CAS registry number 73570-52-2, has the systematic name of N-[7-(diethylamino)-3H-phenoxazin-3-ylidene]-N-ethylethanaminium nitrate. Besides this, it is also called 3,7-Bis(diethylamino)phenoxazin-5-ium nitrate. And the chemical formula f this chemical is C20H26N4O4. What's more, its EINECS is 277-539-5. When use it, do not breathe dust and avoid contact with skin and eyes.

Physical properties of Phenoxazin-5-ium, 3,7-bis(diethylamino)-, nitrate: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 27.84 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+]([O-])=O.N=1c3c(OC=2C=1\C=C/C(=[N+](/CC)CC)/C=2)cc(cc3)N(CC)CC
(2)InChI: InChI=1/C20H26N3O.NO3/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;2-1(3)4/h9-14H,5-8H2,1-4H3;/q+1;-1
(3)InChIKey: FINMBCOJZNNVJY-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C20H26N3O.NO3/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;2-1(3)4/h9-14H,5-8H2,1-4H3;/q+1;-1
(5)Std. InChIKey: FINMBCOJZNNVJY-UHFFFAOYSA-N