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148741-67-7 | Guanidine, N-[(3,4-dimethoxyphenyl)methyl]-, methanesulfonate (1:1)
CAS No: 148741-67-7 Catalog No: AG001L5X MDL No:
Product Description
Catalog Number:
AG001L5X
Chemical Name:
Guanidine, N-[(3,4-dimethoxyphenyl)methyl]-, methanesulfonate (1:1)
CAS Number:
148741-67-7
Molecular Formula:
C11H19N3O5S
Molecular Weight:
305.3507
IUPAC Name:
2-[(3,4-dimethoxyphenyl)methyl]guanidine;methanesulfonic acid
InChI:
InChI=1S/C10H15N3O2.CH4O3S/c1-14-8-4-3-7(5-9(8)15-2)6-13-10(11)12;1-5(2,3)4/h3-5H,6H2,1-2H3,(H4,11,12,13);1H3,(H,2,3,4)
InChI Key:
LMNTYSMXUXRWGD-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.COc1cc(CNC(=N)N)ccc1OC
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
305.349g/mol
Monoisotopic Mass:
305.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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