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14097-03-1 | Ethanaminium, 2-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-N,N,N-trimethyl-
CAS No: 14097-03-1 Catalog No: AG001FPB MDL No:
Product Description
Catalog Number:
AG001FPB
Chemical Name:
Ethanaminium, 2-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-N,N,N-trimethyl-
CAS Number:
14097-03-1
Molecular Formula:
C19H25ClN5O2+
Molecular Weight:
390.8871
IUPAC Name:
2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium
InChI:
InChI=1S/C19H25ClN5O2/c1-5-23(12-13-25(2,3)4)16-8-6-15(7-9-16)21-22-19-11-10-17(24(26)27)14-18(19)20/h6-11,14H,5,12-13H2,1-4H3/q+1
InChI Key:
TZXATTMVGZDPHM-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1N=Nc1ccc(cc1)CCNCC[N+](C)(C)C)[N+](=O)[O-]
EC Number:
237-946-0
UNII:
0945DF1A8T
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.17g/mol
Formal Charge:
1
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.892g/mol
Monoisotopic Mass:
390.17g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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