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138427-70-0 | Acetonitrile, 2-[2-[2-(pentyloxy)phenyl]diazenyl]-2-[2-[2-(pentyloxy)phenyl]hydrazinylidene]-
CAS No: 138427-70-0 Catalog No: AG00194R MDL No:
Product Description
Catalog Number:
AG00194R
Chemical Name:
Acetonitrile, 2-[2-[2-(pentyloxy)phenyl]diazenyl]-2-[2-[2-(pentyloxy)phenyl]hydrazinylidene]-
CAS Number:
138427-70-0
Molecular Formula:
C24H31N5O2
Molecular Weight:
421.5352
IUPAC Name:
1-cyano-N'-(2-pentoxyanilino)-N-(2-pentoxyphenyl)iminomethanimidamide
InChI:
InChI=1S/C24H31N5O2/c1-3-5-11-17-30-22-15-9-7-13-20(22)26-28-24(19-25)29-27-21-14-8-10-16-23(21)31-18-12-6-4-2/h7-10,13-16,26H,3-6,11-12,17-18H2,1-2H3
InChI Key:
LWVMDPBQOPIJGF-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccccc1NN=C(N=Nc1ccccc1OCCCCC)C#N
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.248g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
421.545g/mol
Monoisotopic Mass:
421.248g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.3
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