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77985-02-5 | (2-(10-PHENOTHIAZINYL)ETHYL)TRIMETHYLAMMONIUM, IODIDE
CAS No: 77985-02-5 Catalog No: AG005Q7I MDL No:
Product Description
Catalog Number:
AG005Q7I
Chemical Name:
(2-(10-PHENOTHIAZINYL)ETHYL)TRIMETHYLAMMONIUM, IODIDE
CAS Number:
77985-02-5
Molecular Formula:
C17H21IN2S
Molecular Weight:
412.3315
IUPAC Name:
trimethyl(2-phenothiazin-10-ylethyl)azanium;iodide
InChI:
InChI=1S/C17H21N2S.HI/c1-19(2,3)13-12-18-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)18;/h4-11H,12-13H2,1-3H3;1H/q+1;/p-1
InChI Key:
NUBUGWJISZCDCY-UHFFFAOYSA-M
SMILES:
C[N+](CCN1c2ccccc2Sc2c1cccc2)(C)C.[I-]
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.047g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.333g/mol
Monoisotopic Mass:
412.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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