Cas no 13018-79-6 (3,7-Bis(dimethylamino)phenothiazin-5-ium perchlorate)
13018-79-6 structure
Product Name:3,7-Bis(dimethylamino)phenothiazin-5-ium perchlorate
CAS No:13018-79-6
MF:C16H18ClN3O4S
MW:383.849821567535
CID:161159
PubChem ID:44149701
Update Time:2025-04-19
3,7-Bis(dimethylamino)phenothiazin-5-ium perchlorate Chemical and Physical Properties
Names and Identifiers
-
- 3,7-Bis(dimethylamino)phenothiazin-5-ium perchlorate
- [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium,perchlorate
- N,N,N',N'-tetramethylphenothiazin-5-ium-3,7-diamine perchlorate
- EINECS 235-874-4
- 3,7-bis-(Dimethylamino)phenothiazin-5-ium perchlorate
- NS00084747
- 13018-79-6
-
- Inchi： 1S/C16H18N3S.ClO4/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;2-1(3,4)5/h5-10H,1-4H3;/q+1;-1
- InChI Key： NTXURTIUWZRQQC-UHFFFAOYSA-N
- SMILES： [Cl+3]([O-])([O-])([O-])[O-].S1C2C=C(C=CC=2N=C2C=C/C(/C=C12)=[N+](/C)\C)N(C)C
Computed Properties
- Exact Mass: 384.07867
- Monoisotopic Mass: 383.071
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 25
- Rotatable Bond Count: 1
- Complexity: 579
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 118A^2
Experimental Properties
- Density: g/cm3
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 93.64
3,7-Bis(dimethylamino)phenothiazin-5-ium perchlorate Related Literature
-
Olga Impert,Anna Katafias,Przemys?aw Kita,Andrew Mills,Aleksandra Pietkiewicz-Graczyk,Grzegorz Wrzeszcz Dalton Trans. 2003 348
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