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138504-41-3 | Methanesulfonamide, N-[2-[(4-aminophenyl)ethylamino]ethyl]-, sulfate (2:1)
CAS No: 138504-41-3 Catalog No: AG0019BD MDL No:
Product Description
Catalog Number:
AG0019BD
Chemical Name:
Methanesulfonamide, N-[2-[(4-aminophenyl)ethylamino]ethyl]-, sulfate (2:1)
CAS Number:
138504-41-3
Molecular Formula:
C22H40N6O8S3
Molecular Weight:
612.7834
IUPAC Name:
N-[2-[2-(4-aminophenyl)ethylamino]ethyl]methanesulfonamide;sulfuric acid
InChI:
InChI=1S/2C11H19N3O2S.H2O4S/c2*1-17(15,16)14-9-8-13-7-6-10-2-4-11(12)5-3-10;1-5(2,3)4/h2*2-5,13-14H,6-9,12H2,1H3;(H2,1,2,3,4)
InChI Key:
RRRFPGJFBVMADH-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.Nc1ccc(cc1)CCNCCNS(=O)(=O)C.Nc1ccc(cc1)CCNCCNS(=O)(=O)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
612.207g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
612.776g/mol
Monoisotopic Mass:
612.207g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
268A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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