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Home > Pyridines > 108833-95-0
108833-95-0 | N-(3-pyridinylmethyl)guanidine sulfate
CAS No: 108833-95-0 Catalog No: AG00J1HX MDL No:MFCD13193928
Product Description
Catalog Number:
AG00J1HX
Chemical Name:
N-(3-pyridinylmethyl)guanidine sulfate
CAS Number:
108833-95-0
Molecular Formula:
C7H12N4O4S
Molecular Weight:
248.2596
MDL Number:
MFCD13193928
IUPAC Name:
2-(pyridin-3-ylmethyl)guanidine;sulfuric acid
InChI:
InChI=1S/C7H10N4.H2O4S/c8-7(9)11-5-6-2-1-3-10-4-6;1-5(2,3)4/h1-4H,5H2,(H4,8,9,11);(H2,1,2,3,4)
InChI Key:
RCJAZNSFFQSBHD-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.NC(=N)NCc1cccnc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
248.257g/mol
Monoisotopic Mass:
248.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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