Home Other Building Blocks bis(1-[(3-methoxyphenyl)methyl]guanidine), sulfuric acid

bis(1-[(3-methoxyphenyl)methyl]guanidine), sulfuric acid

CAS No.:
14279-94-8
Catalog Number:
AG019UFI
Molecular Formula:
C18H28N6O6S
Molecular Weight:
456.5165
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Product Description
Catalog Number:
AG019UFI
Chemical Name:
bis(1-[(3-methoxyphenyl)methyl]guanidine), sulfuric acid
CAS Number:
14279-94-8
Molecular Formula:
C18H28N6O6S
Molecular Weight:
456.5165
MDL Number:
MFCD11857824
IUPAC Name:
2-[(3-methoxyphenyl)methyl]guanidine;sulfuric acid
InChI:
InChI=1S/2C9H13N3O.H2O4S/c2*1-13-8-4-2-3-7(5-8)6-12-9(10)11;1-5(2,3)4/h2*2-5H,6H2,1H3,(H4,10,11,12);(H2,1,2,3,4)
InChI Key:
RDRWQZZDCXHVCJ-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.COc1cccc(c1)CNC(=N)N.COc1cccc(c1)CNC(=N)N
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.179g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
456.518g/mol
Monoisotopic Mass:
456.179g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
230A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties