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115174-16-8 | Guanidine, [[4-[(hexahydro-1(2H)-azocinyl)methyl]phenyl]methyl]-, sulfate (1:1) (9CI)
CAS No: 115174-16-8 Catalog No: AG000GDI MDL No:
Product Description
Catalog Number:
AG000GDI
Chemical Name:
Guanidine, [[4-[(hexahydro-1(2H)-azocinyl)methyl]phenyl]methyl]-, sulfate (1:1) (9CI)
CAS Number:
115174-16-8
Molecular Formula:
C16H28N4O4S
Molecular Weight:
372.4829
IUPAC Name:
2-[[4-(azocan-1-ylmethyl)phenyl]methyl]guanidine;sulfuric acid
InChI:
InChI=1S/C16H26N4.H2O4S/c17-16(18)19-12-14-6-8-15(9-7-14)13-20-10-4-2-1-3-5-11-20;1-5(2,3)4/h6-9H,1-5,10-13H2,(H4,17,18,19);(H2,1,2,3,4)
InChI Key:
AZXHTFGBUAUCIM-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.NC(=N)NCc1ccc(cc1)CN1CCCCCCC1
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.183g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
372.484g/mol
Monoisotopic Mass:
372.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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