Home Sulfos Methanesulfonamide, N-[4-[4-(ethylheptylamino)-1-hydroxybutyl]phenyl]-, (2E)-2-butenedioate (2:1)

Methanesulfonamide, N-[4-[4-(ethylheptylamino)-1-hydroxybutyl]phenyl]-, (2E)-2-butenedioate (2:1)

CAS No.:
122647-32-9
Catalog Number:
AG0017L2
Molecular Formula:
C44H76N4O10S2
Molecular Weight:
885.2250
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
98%
In Stock USA
United States
$73
- +
25mg
98%
In Stock USA
United States
$114
- +
50mg
98%
In Stock USA
United States
$198
- +
100mg
98%
In Stock USA
United States
$360
- +
250mg
98%
In Stock USA
United States
$775
- +
Product Description
Catalog Number:
AG0017L2
Chemical Name:
Methanesulfonamide, N-[4-[4-(ethylheptylamino)-1-hydroxybutyl]phenyl]-, (2E)-2-butenedioate (2:1)
CAS Number:
122647-32-9
Molecular Formula:
C44H76N4O10S2
Molecular Weight:
885.2250
MDL Number:
MFCD01715410
IUPAC Name:
(E)-but-2-enedioic acid;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
InChI:
InChI=1S/2C20H36N2O3S.C4H4O4/c2*1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25;5-3(6)1-2-4(7)8/h2*12-15,20-21,23H,4-11,16-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
InChI Key:
PCIOHQNIRPWFMV-WXXKFALUSA-N
SMILES:
OC(=O)/C=C/C(=O)O.CCCCCCCN(CCCC(c1ccc(cc1)NS(=O)(=O)C)O)CC.CCCCCCCN(CCCC(c1ccc(cc1)NS(=O)(=O)C)O)CC
Properties
Complexity:
561  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
884.5g/mol
Formal Charge:
0
Heavy Atom Count:
60  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
885.23g/mol
Monoisotopic Mass:
884.5g/mol
Rotatable Bond Count:
30  
Topological Polar Surface Area:
231A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Literature
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