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119749-59-6 | Hydrazinecarboximidamide, 2,2'-(1,4-cyclohexanediylidene)bis- (9CI)
CAS No: 119749-59-6 Catalog No: AG000PLW MDL No:
Product Description
Catalog Number:
AG000PLW
Chemical Name:
Hydrazinecarboximidamide, 2,2'-(1,4-cyclohexanediylidene)bis- (9CI)
CAS Number:
119749-59-6
Molecular Formula:
C8H16N8
Molecular Weight:
224.2662
IUPAC Name:
2-[[4-(diaminomethylidenehydrazinylidene)cyclohexylidene]amino]guanidine
InChI:
InChI=1S/C8H16N8/c9-7(10)15-13-5-1-2-6(4-3-5)14-16-8(11)12/h1-4H2,(H4,9,10,15)(H4,11,12,16)
InChI Key:
HEPQODZXYFHKOQ-UHFFFAOYSA-N
SMILES:
NC(=N)NN=C1CCC(=NNC(=N)N)CC1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.15g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
224.272g/mol
Monoisotopic Mass:
224.15g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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