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67026-66-8 | 2-CYANO-1-(3,5-DIMETHYL-4-ISOXAZOLYL)-3-(1,2,2-TRIMETHYLPROPYL)GUANIDINE
CAS No: 67026-66-8 Catalog No: AG005RDW MDL No:
Product Description
Catalog Number:
AG005RDW
Chemical Name:
2-CYANO-1-(3,5-DIMETHYL-4-ISOXAZOLYL)-3-(1,2,2-TRIMETHYLPROPYL)GUANIDINE
CAS Number:
67026-66-8
Molecular Formula:
C13H21N5O
Molecular Weight:
263.3387
IUPAC Name:
1-cyano-2-(3,3-dimethylbutan-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)guanidine
InChI:
InChI=1S/C13H21N5O/c1-8-11(9(2)19-18-8)17-12(15-7-14)16-10(3)13(4,5)6/h10H,1-6H3,(H2,15,16,17)
InChI Key:
RMJKKFPLXKCMAN-UHFFFAOYSA-N
SMILES:
N#CN=C(NC(C(C)(C)C)C)Nc1c(C)noc1C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.175g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.345g/mol
Monoisotopic Mass:
263.175g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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