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16728-91-9 | Propanenitrile, 3,3'-[(cyanomethyl)imino]bis- (9CI)
CAS No: 16728-91-9 Catalog No: AG001X9H MDL No:
Product Description
Catalog Number:
AG001X9H
Chemical Name:
Propanenitrile, 3,3'-[(cyanomethyl)imino]bis- (9CI)
CAS Number:
16728-91-9
Molecular Formula:
C8H10N4
Molecular Weight:
162.1918
IUPAC Name:
3-[2-cyanoethyl(cyanomethyl)amino]propanenitrile
InChI:
InChI=1S/C8H10N4/c9-3-1-6-12(8-5-11)7-2-4-10/h1-2,6-8H2
InChI Key:
MYHZWCDPOPFVDZ-UHFFFAOYSA-N
SMILES:
N#CCN(CCC#N)CCC#N
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.091g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.196g/mol
Monoisotopic Mass:
162.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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