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67326-79-8 | N-(2,3-dimethoxypropyl)-N-ethyl-4-(6-methoxy-3-methyl-benzothiazol-2-yl)diazenyl-aniline chloride
CAS No: 67326-79-8 Catalog No: AG006IF1 MDL No:
Product Description
Catalog Number:
AG006IF1
Chemical Name:
N-(2,3-dimethoxypropyl)-N-ethyl-4-(6-methoxy-3-methyl-benzothiazol-2-yl)diazenyl-aniline chloride
CAS Number:
67326-79-8
Molecular Formula:
C22H30ClN4O3S-
Molecular Weight:
466.0166
IUPAC Name:
N-(2,3-dimethoxypropyl)-N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]aniline;chloride
InChI:
InChI=1S/C22H29N4O3S.ClH/c1-6-26(14-19(29-5)15-27-3)17-9-7-16(8-10-17)23-24-22-25(2)20-12-11-18(28-4)13-21(20)30-22;/h7-13,19H,6,14-15H2,1-5H3;1H/q+1;/p-1
InChI Key:
MRPABYXFRYAUII-UHFFFAOYSA-M
SMILES:
COCC(CN(c1ccc(cc1)N=NC1Sc2c(N1C)ccc(c2)OC)CC)OC.[Cl-]
EC Number:
266-642-0
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.165g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
465.009g/mol
Monoisotopic Mass:
464.165g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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