Home Nitriles Propanedinitrile, 2-[(dimethylamino)methylene]-

Propanedinitrile, 2-[(dimethylamino)methylene]-

CAS No.:
16849-88-0
Catalog Number:
AG001Y3E
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
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Product Description
Catalog Number:
AG001Y3E
Chemical Name:
Propanedinitrile, 2-[(dimethylamino)methylene]-
CAS Number:
16849-88-0
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
MDL Number:
MFCD00001853
IUPAC Name:
2-(dimethylaminomethylidene)propanedinitrile
InChI:
InChI=1S/C6H7N3/c1-9(2)5-6(3-7)4-8/h5H,1-2H3
InChI Key:
LBUDLOYYNHQKQI-UHFFFAOYSA-N
SMILES:
CN(C=C(C#N)C#N)C
EC Number:
240-873-7
UNII:
9VE2L03HB0
NSC Number:
168421
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.064g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.143g/mol
Monoisotopic Mass:
121.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties