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777002-31-0 | Imidodicarbonimidicdiamide, N-ethyl-N-(5-methyl-3-isoxazolyl)-
CAS No: 777002-31-0 Catalog No: AG005RV8 MDL No:
Product Description
Catalog Number:
AG005RV8
Chemical Name:
Imidodicarbonimidicdiamide, N-ethyl-N-(5-methyl-3-isoxazolyl)-
CAS Number:
777002-31-0
Molecular Formula:
C8H14N6O
Molecular Weight:
210.2364
IUPAC Name:
3-(diaminomethylidene)-1-ethyl-1-(5-methyl-1,2-oxazol-3-yl)guanidine
InChI:
InChI=1S/C8H14N6O/c1-3-14(8(11)12-7(9)10)6-4-5(2)15-13-6/h4H,3H2,1-2H3,(H5,9,10,11,12)
InChI Key:
PUOJQMNPCRBTND-UHFFFAOYSA-N
SMILES:
CCN(c1cc(on1)C)C(=N)NC(=N)N
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.123g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
210.241g/mol
Monoisotopic Mass:
210.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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