CAS No.101027-54-7,Rhodamine 800 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	101027-54-7
Name:	Rhodamine 800

Formula:	C₂₆H₂₆ClN₃O₅
Molecular Weight:	495.9547
Synonyms:	9-cyano-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium perchlorate;
Safety:	22-24/25
PSA:	113.54000
LogP:	2.97628

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Specification

The Rhodamine 800, with the cas registry number 101027-54-7, has the systematic name of 9-cyano-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium perchlorate. And the molecular formula of the chemical is C₂₆H₂₆N₃O^.ClO₄. While dealing with this chemical, you should be cautious not to breathe dust and avoid to contact with skin and eyes.

The characteristics of this chemical are as followings: (1)H-Bond Donor 0; (2)H-Bond Acceptor 7; (3)Rotatable Bond Count 0; (4)Exact Mass 495.156099; (5)MonoIsotopic Mass 495.156099; (6)Topological Polar Surface Area 114; (7)Heavy Atom Count 35; (8)Formal Charge 0; (9)Complexity 1020; (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.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-]Cl(=O)(=O)=O.N#CC=3c7cc1c2N(CCC1)CCCc2c7OC=4C=3\C=C6/C=5C=4CCC[N+]=5CCC6
(2)InChI: InChI=1/C26H26N3O.ClHO4/c27-15-22-20-13-16-5-1-9-28-11-3-7-18(23(16)28)25(20)30-26-19-8-4-12-29-10-2-6-17(24(19)29)14-21(22)26;2-1(3,4)5/h13-14H,1-12H2;(H,2,3,4,5)/q+1;/p-1
(3)InChIKey: HACOCUMLBPNDIN-REWHXWOFAC