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101365-91-7 | Propanedinitrile, 2-[[4-(butylethylamino)phenyl]methylene]-
CAS No: 101365-91-7 Catalog No: AG0004AI MDL No:
Product Description
Catalog Number:
AG0004AI
Chemical Name:
Propanedinitrile, 2-[[4-(butylethylamino)phenyl]methylene]-
CAS Number:
101365-91-7
Molecular Formula:
C16H19N3
Molecular Weight:
253.3422
IUPAC Name:
2-[[4-[butyl(ethyl)amino]phenyl]methylidene]propanedinitrile
InChI:
InChI=1S/C16H19N3/c1-3-5-10-19(4-2)16-8-6-14(7-9-16)11-15(12-17)13-18/h6-9,11H,3-5,10H2,1-2H3
InChI Key:
MDIIUDREFLEXPY-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc(cc1)C=C(C#N)C#N)CC
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.349g/mol
Monoisotopic Mass:
253.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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