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150012-63-8 | Hydrazinecarboxamide, 2,2'-[(tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)bis[2-(hydroxyimino)-1-methyl-2-ethanyl-1-ylidene]]bis- (9CI)
CAS No: 150012-63-8 Catalog No: AG001M8E MDL No:
Product Description
Catalog Number:
AG001M8E
Chemical Name:
Hydrazinecarboxamide, 2,2'-[(tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)bis[2-(hydroxyimino)-1-methyl-2-ethanyl-1-ylidene]]bis- (9CI)
CAS Number:
150012-63-8
Molecular Formula:
C13H24N10O4
Molecular Weight:
384.3943
IUPAC Name:
[[1-[4-(C-acetyl-N-hydroxycarbonimidoyl)-1,4-diazepan-1-yl]-1-hydroxyiminopropan-2-ylidene]amino]urea
InChI:
InChI=1S/C12H21N7O4/c1-8(14-15-12(13)21)10(16-22)18-4-3-5-19(7-6-18)11(17-23)9(2)20/h22-23H,3-7H2,1-2H3,(H3,13,15,21)
InChI Key:
AWJBKSYUHIFVKM-UHFFFAOYSA-N
SMILES:
ON=C(C(=NNC(=O)N)C)N1CCCN(CC1)C(=NO)C(=NNC(=O)N)C
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.166g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
327.345g/mol
Monoisotopic Mass:
327.166g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
-0.6
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