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102571-28-8 | 10H-Phenothiazine-10-ethanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-, iodide (1:1)
CAS No: 102571-28-8 Catalog No: AG0007RQ MDL No:
Product Description
Catalog Number:
AG0007RQ
Chemical Name:
10H-Phenothiazine-10-ethanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-, iodide (1:1)
CAS Number:
102571-28-8
Molecular Formula:
C18H23IN2OS
Molecular Weight:
442.3575
IUPAC Name:
2-hydroxyethyl-dimethyl-(2-phenothiazin-10-ylethyl)azanium;iodide
InChI:
InChI=1S/C18H23N2OS.HI/c1-20(2,13-14-21)12-11-19-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)19;/h3-10,21H,11-14H2,1-2H3;1H/q+1;/p-1
InChI Key:
IMRPLALOWVCIRL-UHFFFAOYSA-M
SMILES:
OCC[N+](CCN1c2ccccc2Sc2c1cccc2)(C)C.[I-]
NSC Number:
663626
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.058g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
442.359g/mol
Monoisotopic Mass:
442.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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