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67026-65-7 | 1-TERT-BUTYL-2-CYANO-3-(3,5-DIMETHYL-4-ISOXAZOLYL)GUANIDINE
CAS No: 67026-65-7 Catalog No: AG0064J8 MDL No:
Product Description
Catalog Number:
AG0064J8
Chemical Name:
1-TERT-BUTYL-2-CYANO-3-(3,5-DIMETHYL-4-ISOXAZOLYL)GUANIDINE
CAS Number:
67026-65-7
Molecular Formula:
C11H17N5O
Molecular Weight:
235.2856
IUPAC Name:
2-tert-butyl-1-cyano-3-(3,5-dimethyl-1,2-oxazol-4-yl)guanidine
InChI:
InChI=1S/C11H17N5O/c1-7-9(8(2)17-16-7)14-10(13-6-12)15-11(3,4)5/h1-5H3,(H2,13,14,15)
InChI Key:
NLEYGFRERMQWEU-UHFFFAOYSA-N
SMILES:
N#CN=C(NC(C)(C)C)Nc1c(C)noc1C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.143g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.291g/mol
Monoisotopic Mass:
235.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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