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16508-73-9 | Phenazinium, 3-amino-7-(dimethylamino)-2-methyl-5-phenyl-, chloride (1:1)
CAS No: 16508-73-9 Catalog No: AG001V9H MDL No:
Product Description
Catalog Number:
AG001V9H
Chemical Name:
Phenazinium, 3-amino-7-(dimethylamino)-2-methyl-5-phenyl-, chloride (1:1)
CAS Number:
16508-73-9
Molecular Formula:
C21H21ClN4
Molecular Weight:
364.8712
IUPAC Name:
8-N,8-N,3-trimethyl-10-phenylphenazin-10-ium-2,8-diamine;chloride
InChI:
InChI=1S/C21H20N4.ClH/c1-14-11-19-21(13-17(14)22)25(15-7-5-4-6-8-15)20-12-16(24(2)3)9-10-18(20)23-19;/h4-13,22H,1-3H3;1H
InChI Key:
IGFPPYWLUIIXOJ-UHFFFAOYSA-N
SMILES:
CN(c1ccc2c(c1)[n+](c1ccccc1)c1c(n2)cc(c(c1)N)C)C.[Cl-]
EC Number:
605-385-4
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.145g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.877g/mol
Monoisotopic Mass:
364.145g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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