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Rhodamine 800

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Name

Rhodamine 800

EINECS N/A
CAS No. 101027-54-7 Density N/A
PSA 113.54000 LogP 2.97628
Solubility N/A Melting Point N/A
Formula C26H26ClN3O5 Boiling Point N/A
Molecular Weight 495.9547 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 101027-54-7 (Rhodamine 800) Hazard Symbols N/A
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;

 

Rhodamine 800 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

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