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100553-53-5 | Guanidine, N-butoxy-N'-(4,6-dimethyl-2-pyrimidinyl)-
CAS No: 100553-53-5 Catalog No: AG0002B0 MDL No:
Product Description
Catalog Number:
AG0002B0
Chemical Name:
Guanidine, N-butoxy-N'-(4,6-dimethyl-2-pyrimidinyl)-
CAS Number:
100553-53-5
Molecular Formula:
C11H19N5O
Molecular Weight:
237.3015
IUPAC Name:
1-butoxy-2-(4,6-dimethylpyrimidin-2-yl)guanidine
InChI:
InChI=1S/C11H19N5O/c1-4-5-6-17-16-10(12)15-11-13-8(2)7-9(3)14-11/h7H,4-6H2,1-3H3,(H3,12,13,14,15,16)
InChI Key:
ADNIFYDIEQFDBP-UHFFFAOYSA-N
SMILES:
CCCCONC(=N)Nc1nc(C)cc(n1)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.159g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.307g/mol
Monoisotopic Mass:
237.159g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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