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140714-28-9 | ACETAMIDE, N-[2-[(2-AMINO-1,3,3-TRICYANO-2-PROPEN-1-YLIDENE)AMINO]-5-(DIETHYLAMINO)PHENYL]-
CAS No: 140714-28-9 Catalog No: AG001CQD MDL No:
Product Description
Catalog Number:
AG001CQD
Chemical Name:
ACETAMIDE, N-[2-[(2-AMINO-1,3,3-TRICYANO-2-PROPEN-1-YLIDENE)AMINO]-5-(DIETHYLAMINO)PHENYL]-
CAS Number:
140714-28-9
Molecular Formula:
C18H19N7O
Molecular Weight:
349.3898
IUPAC Name:
N-[2-acetamido-4-(diethylamino)phenyl]-2-amino-3,3-dicyanoprop-2-enimidoyl cyanide
InChI:
InChI=1S/C18H19N7O/c1-4-25(5-2)14-6-7-15(16(8-14)23-12(3)26)24-17(11-21)18(22)13(9-19)10-20/h6-8H,4-5,22H2,1-3H3,(H,23,26)
InChI Key:
UPGSXJIOXJMYFQ-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(c(c1)NC(=O)C)N=C(C(=C(C#N)C#N)N)C#N)CC
Properties
Complexity:
717
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.165g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.398g/mol
Monoisotopic Mass:
349.165g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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