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140476-45-5 | 1,3-Benzenedicarbonitrile, compd. with N,N-diethylethanamine (1:1)
CAS No: 140476-45-5 Catalog No: AG001CI6 MDL No:
Product Description
Catalog Number:
AG001CI6
Chemical Name:
1,3-Benzenedicarbonitrile, compd. with N,N-diethylethanamine (1:1)
CAS Number:
140476-45-5
Molecular Formula:
C14H19N3
Molecular Weight:
229.3208
IUPAC Name:
benzene-1,3-dicarbonitrile;N,N-diethylethanamine
InChI:
InChI=1S/C8H4N2.C6H15N/c9-5-7-2-1-3-8(4-7)6-10;1-4-7(5-2)6-3/h1-4H;4-6H2,1-3H3
InChI Key:
HIASBEFNVYJTFB-UHFFFAOYSA-N
SMILES:
CCN(CC)CC.N#Cc1cccc(c1)C#N
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.158g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.327g/mol
Monoisotopic Mass:
229.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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