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199297-14-8 | Propanedinitrile, 2-[[4-(3-methyl-1-piperidinyl)phenyl]methylene]-
CAS No: 199297-14-8 Catalog No: AG002C19 MDL No:
Product Description
Catalog Number:
AG002C19
Chemical Name:
Propanedinitrile, 2-[[4-(3-methyl-1-piperidinyl)phenyl]methylene]-
CAS Number:
199297-14-8
Molecular Formula:
C16H17N3
Molecular Weight:
251.3263
IUPAC Name:
2-[[4-(3-methylpiperidin-1-yl)phenyl]methylidene]propanedinitrile
InChI:
InChI=1S/C16H17N3/c1-13-3-2-8-19(12-13)16-6-4-14(5-7-16)9-15(10-17)11-18/h4-7,9,13H,2-3,8,12H2,1H3
InChI Key:
YZOUNNAMBASYSG-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(cc1)N1CCCC(C1)C)C#N
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.333g/mol
Monoisotopic Mass:
251.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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