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87533-60-6 | Acetamide, N-[3,5-bis[1-[(aminoiminomethyl)hydrazono]ethyl]phenyl]-
CAS No: 87533-60-6 Catalog No: AG004F60 MDL No:
Product Description
Catalog Number:
AG004F60
Chemical Name:
Acetamide, N-[3,5-bis[1-[(aminoiminomethyl)hydrazono]ethyl]phenyl]-
CAS Number:
87533-60-6
Molecular Formula:
C14H21N9O
Molecular Weight:
331.3762
IUPAC Name:
N-[3,5-bis[N-(methanehydrazonoylamino)-C-methylcarbonimidoyl]phenyl]acetamide
InChI:
InChI=1S/C14H21N9O/c1-9(22-19-7-17-15)12-4-13(10(2)23-20-8-18-16)6-14(5-12)21-11(3)24/h4-8H,15-16H2,1-3H3,(H,17,19)(H,18,20)(H,21,24)
InChI Key:
PEXAYOIWUVRACX-UHFFFAOYSA-N
SMILES:
NN=CNN=C(c1cc(NC(=O)C)cc(c1)C(=NNC=NN)C)C
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.187g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
331.384g/mol
Monoisotopic Mass:
331.187g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
-0.1
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