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138766-67-3 | Propanedinitrile, [[[[(dimethylamino)phenyl]azo]phenyl]methylene]- (9CI)
CAS No: 138766-67-3 Catalog No: AG0019IB MDL No:
Product Description
Catalog Number:
AG0019IB
Chemical Name:
Propanedinitrile, [[[[(dimethylamino)phenyl]azo]phenyl]methylene]- (9CI)
CAS Number:
138766-67-3
Molecular Formula:
C18H15N5
Molecular Weight:
301.3452
IUPAC Name:
2-[[2-[[2-(dimethylamino)phenyl]diazenyl]phenyl]methylidene]propanedinitrile
InChI:
InChI=1S/C18H15N5/c1-23(2)18-10-6-5-9-17(18)22-21-16-8-4-3-7-15(16)11-14(12-19)13-20/h3-11H,1-2H3
InChI Key:
LFLJROXBTDSCMO-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccccc1N=Nc1ccccc1N(C)C)C#N
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.133g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.353g/mol
Monoisotopic Mass:
301.133g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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