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174752-83-1 | Pyridinium, 1-[2-[[3-(3,3-dimethyl-1-triazen-1-yl)phenyl]amino]-2-oxoethyl]-, chloride (1:1)
CAS No: 174752-83-1 Catalog No: AG001ZXF MDL No:
Product Description
Catalog Number:
AG001ZXF
Chemical Name:
Pyridinium, 1-[2-[[3-(3,3-dimethyl-1-triazen-1-yl)phenyl]amino]-2-oxoethyl]-, chloride (1:1)
CAS Number:
174752-83-1
Molecular Formula:
C15H18ClN5O
Molecular Weight:
319.7893
IUPAC Name:
N-[3-(dimethylaminodiazenyl)phenyl]-2-pyridin-1-ium-1-ylacetamide;chloride
InChI:
InChI=1S/C15H17N5O.ClH/c1-19(2)18-17-14-8-6-7-13(11-14)16-15(21)12-20-9-4-3-5-10-20;/h3-11H,12H2,1-2H3;1H
InChI Key:
LSDOHOJVMRHFTN-UHFFFAOYSA-N
SMILES:
O=C(C[n+]1ccccc1)Nc1cccc(c1)N=NN(C)C.[Cl-]
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.12g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.793g/mol
Monoisotopic Mass:
319.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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