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114491-72-4 | Butanediamide, N1,N4-bis[bis(dimethylamino)methylene]-
CAS No: 114491-72-4 Catalog No: AG000EJC MDL No:
Product Description
Catalog Number:
AG000EJC
Chemical Name:
Butanediamide, N1,N4-bis[bis(dimethylamino)methylene]-
CAS Number:
114491-72-4
Molecular Formula:
C14H28N6O2
Molecular Weight:
312.4111
IUPAC Name:
N,N'-bis[bis(dimethylamino)methylidene]butanediamide
InChI:
InChI=1S/C14H28N6O2/c1-17(2)13(18(3)4)15-11(21)9-10-12(22)16-14(19(5)6)20(7)8/h9-10H2,1-8H3
InChI Key:
AMRJJEABROMJMK-UHFFFAOYSA-N
SMILES:
CN(C(=NC(=O)CCC(=O)N=C(N(C)C)N(C)C)N(C)C)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.227g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.418g/mol
Monoisotopic Mass:
312.227g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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