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21785-41-1 | 2-[2-(2,3-dihydro-1h-indol-1-yl)ethyl]guanidine sulfate(2:1)
CAS No: 21785-41-1 Catalog No: AG007P68 MDL No:
Product Description
Catalog Number:
AG007P68
Chemical Name:
2-[2-(2,3-dihydro-1h-indol-1-yl)ethyl]guanidine sulfate(2:1)
CAS Number:
21785-41-1
Molecular Formula:
C22H34N8O4S
Molecular Weight:
506.6216
IUPAC Name:
2-[2-(2,3-dihydroindol-1-yl)ethyl]guanidine;sulfuric acid
InChI:
InChI=1S/2C11H16N4.H2O4S/c2*12-11(13)14-6-8-15-7-5-9-3-1-2-4-10(9)15;1-5(2,3)4/h2*1-4H,5-8H2,(H4,12,13,14);(H2,1,2,3,4)
InChI Key:
SYLYKOSPUJRVEA-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.NC(=NCCN1CCc2c1cccc2)N.NC(=NCCN1CCc2c1cccc2)N
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.242g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
506.626g/mol
Monoisotopic Mass:
506.242g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
218A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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