Name: OXAZINE 1
SKU: 24796-94-9

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Basic Information

Molecular Structure:
CAS No.:	24796-94-9
Name:	OXAZINE 1
Article Data:	1

Formula:	C₂₀H₂₆N₃O^.ClO₄
Molecular Weight:	423.897
Synonyms:	Phenoxazin-5-ium, 3,7-bis(diethylamino)-, perchlorate (1:1);Oxazine 725;Phenoxazin-5-ium,3,7-bis(diethylamino)-,perchlorate;
EINECS:	246-465-5
Density:	1.2527 (rough estimate)
Melting Point:	228-230 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	7/9-37/39-33
PSA:	106.55000
LogP:	3.80510

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Specification

The Oxazine 1 perchlorate, with the CAS registry number 24796-94-9 and EINECS registry number 246-465-5, has the systematic name of N-[7-(diethylamino)-3H-phenoxazin-3-ylidene]-N-ethylethanaminium perchlorate. It is a kind of green crystalline powder. And the molecular formula of the chemical is C₂₀H₂₆N₃O^.ClO₄.

The characteristics of this chemical are as followings: (1)H-Bond Donor 0; (2)H-Bond Acceptor 7; (3)Rotatable Bond Count 5; (4)Exact Mass 423.156099; (5)MonoIsotopic Mass 423.156099; (6)Topological Polar Surface Area 102; (7)Heavy Atom Count 29; (8)Formal Charge 0; (9)Complexity 629; (10)Isotope Atom Count 0; (11)Defined Atom StereoCenter Count 0; (12)Undefined Atom StereoCenter Count 0; (13)Defined Bond StereoCenter Count 0; (14)Undefined Bond StereoCenter Count 0; (15)Covalently-Bonded Unit Count 2.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; Keep container tightly closed and in a well-ventilated place; Take precautionary measures against static discharges.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-]Cl(=O)(=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.ClHO4/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)5/h9-14H,5-8H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
(3)InChIKey: PKZWDLHLOBYXKV-REWHXWOFAY