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1562-71-6 | Guanidine, N-[2-(3,6-dihydro-4-methyl-1(2H)-pyridinyl)ethyl]-, sulfate (1:1)
CAS No: 1562-71-6 Catalog No: AG001OLD MDL No:
Product Description
Catalog Number:
AG001OLD
Chemical Name:
Guanidine, N-[2-(3,6-dihydro-4-methyl-1(2H)-pyridinyl)ethyl]-, sulfate (1:1)
CAS Number:
1562-71-6
Molecular Formula:
C9H20N4O4S
Molecular Weight:
280.3445
IUPAC Name:
carbamimidoyl-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]azanium;sulfate
InChI:
InChI=1S/2C9H18N4.H2O4S/c2*1-8-2-5-13(6-3-8)7-4-12-9(10)11;1-5(2,3)4/h2*2H,3-7H2,1H3,(H4,10,11,12);(H2,1,2,3,4)
InChI Key:
LLDVQNBDOLRHBJ-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.NC(=N)NCCN1CCC(=CC1)C
EC Number:
216-344-1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.274g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
462.614g/mol
Monoisotopic Mass:
462.274g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
228A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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