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31774-36-4 | 2-[Bis(dimethylamino)methylene]propanedinitrile
CAS No: 31774-36-4 Catalog No: AG003AL1 MDL No:
Product Description
Catalog Number:
AG003AL1
Chemical Name:
2-[Bis(dimethylamino)methylene]propanedinitrile
CAS Number:
31774-36-4
Molecular Formula:
C8H12N4
Molecular Weight:
164.2077
IUPAC Name:
2-[bis(dimethylamino)methylidene]propanedinitrile
InChI:
InChI=1S/C8H12N4/c1-11(2)8(12(3)4)7(5-9)6-10/h1-4H3
InChI Key:
GRPULZMNGWULPL-UHFFFAOYSA-N
SMILES:
N#CC(=C(N(C)C)N(C)C)C#N
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.212g/mol
Monoisotopic Mass:
164.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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