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100650-65-5 | Guanidine, N-cyano-N''-methyl-N'-[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]-
CAS No: 100650-65-5 Catalog No: AG0002KT MDL No:
Product Description
Catalog Number:
AG0002KT
Chemical Name:
Guanidine, N-cyano-N''-methyl-N'-[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]-
CAS Number:
100650-65-5
Molecular Formula:
C10H14N6O
Molecular Weight:
234.2578
IUPAC Name:
2-cyano-1-methyl-1-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)guanidine
InChI:
InChI=1S/C10H14N6O/c1-16(10(12)13-5-11)4-8-9-7(2-3-17-8)14-6-15-9/h6,8H,2-4H2,1H3,(H2,12,13)(H,14,15)
InChI Key:
BKRNZVFBHBLHPG-UHFFFAOYSA-N
SMILES:
CN=C(NC#N)NCC1OCCc2c1[nH]cn2
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.123g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.263g/mol
Monoisotopic Mass:
234.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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