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30953-42-5 | Guanidine, N-[2-[[[(2-aminoethyl)amino]iminomethyl]amino]ethyl]-N'-2-pyridinyl-, sulfate (1:?)
CAS No: 30953-42-5 Catalog No: AG0031QG MDL No:
Product Description
Catalog Number:
AG0031QG
Chemical Name:
Guanidine, N-[2-[[[(2-aminoethyl)amino]iminomethyl]amino]ethyl]-N'-2-pyridinyl-, sulfate (1:?)
CAS Number:
30953-42-5
Molecular Formula:
C11H22N8O4S
Molecular Weight:
362.4086
IUPAC Name:
2-[[amino-[2-[[amino-(pyridin-2-ylamino)methylidene]amino]ethylamino]methylidene]amino]ethylazanium;hydrogen sulfate
InChI:
InChI=1S/C11H20N8.H2O4S/c12-4-6-16-10(13)17-7-8-18-11(14)19-9-3-1-2-5-15-9;1-5(2,3)4/h1-3,5H,4,6-8,12H2,(H3,13,16,17)(H3,14,15,18,19);(H2,1,2,3,4)
InChI Key:
CKHMXFUTQIOROX-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.NCCNN=CNCCNC(=N)Nc1ccccn1
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.148g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
362.409g/mol
Monoisotopic Mass:
362.148g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
227A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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