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101517-09-3 | Guanidine, [(4-methoxy-1-naphthalenyl)methyl]-, sulfate (2:1) (9CI)
CAS No: 101517-09-3 Catalog No: AG0004OQ MDL No:
Product Description
Catalog Number:
AG0004OQ
Chemical Name:
Guanidine, [(4-methoxy-1-naphthalenyl)methyl]-, sulfate (2:1) (9CI)
CAS Number:
101517-09-3
Molecular Formula:
C13H17N3O5S
Molecular Weight:
327.3562
IUPAC Name:
[amino(azaniumylidene)methyl]-[(4-methoxynaphthalen-1-yl)methyl]azanium;sulfate
InChI:
InChI=1S/C13H15N3O.H2O4S/c1-17-12-7-6-9(8-16-13(14)15)10-4-2-3-5-11(10)12;1-5(2,3)4/h2-7H,8H2,1H3,(H4,14,15,16);(H2,1,2,3,4)
InChI Key:
UTKYHUMQCYYUGO-UHFFFAOYSA-N
SMILES:
[O-]S(=O)(=O)[O-].COc1ccc(c2c1cccc2)C[NH2+]C(=N)[NH3+]
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.089g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
327.355g/mol
Monoisotopic Mass:
327.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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