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102391-02-6 | 1,1,2-Ethenetricarbonitrile, 2-[4-(butylethylamino)phenyl]-
CAS No: 102391-02-6 Catalog No: AG0007BZ MDL No:
Product Description
Catalog Number:
AG0007BZ
Chemical Name:
1,1,2-Ethenetricarbonitrile, 2-[4-(butylethylamino)phenyl]-
CAS Number:
102391-02-6
Molecular Formula:
C17H18N4
Molecular Weight:
278.3516
IUPAC Name:
2-[4-[butyl(ethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile
InChI:
InChI=1S/C17H18N4/c1-3-5-10-21(4-2)16-8-6-14(7-9-16)17(13-20)15(11-18)12-19/h6-9H,3-5,10H2,1-2H3
InChI Key:
YJZSJYFUWWZCGE-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc(cc1)C(=C(C#N)C#N)C#N)CC
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.153g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.359g/mol
Monoisotopic Mass:
278.153g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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