Oxazine 1 Perchlorate

CAT: 0127-OR1076789-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1076789-01Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

24796-94-9

Purity

97%

Smiles

N1c3ccc (cc3 (OC2=CC (=CCC12) N (CC) CC) ) N (CC) CC.O=Cl (=O) (=O) [O-]

Chemical Information

Phenoxazin-5-ium, 3,7-bis(diethylamino)-, perchlorate

Oxazine-1 perchlorate is an organic perchlorate salt. It has a role as a fluorochrome. It contains an oxazine-1.

CAS Number	24796-94-9
PubChem CID	90611
IUPAC Name	[7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium perchlorate
Molecular Formula	C20H26ClN3O5
Molecular Weight	423.9
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	29
Formal Charge	0
Complexity	628

SMILES

CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/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

InChIKey

PKZWDLHLOBYXKV-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 24796-94-9

CID: 90611

Formula: C20H26ClN3O5

MW: 423.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	423.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	423.1560986
Monoisotopic Mass	423.1560986
Topological Polar Surface Area	102 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	628
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
OR1077472	Oxazine 4 Perchlorate
OR72446	Tetrabutylammonium Perchlorate
OR1044045-01	Tetraethylammonium perchlorate
OR1029695-01	Tetramethylammonium Perchlorate
OR1026936	Dracorhodin Perchlorate
OR92901-01	Diphenyliodonium perchlorate
IN13173-01	Barium Perchlorate
OR1028607-01	Cesium Perchlorate
OR1044031-01	Potassium perchlorate
BUP13201-01	TMRM Perchlorate