Home Sulfos 4-methylpiperidin-4-amine bis(4-methylbenzenesulfonate)

4-methylpiperidin-4-amine bis(4-methylbenzenesulfonate)

CAS No.:
1195748-61-8
Catalog Number:
AG0097GN
Molecular Formula:
C20H30N2O6S2
Molecular Weight:
458.5920
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Product Description
Catalog Number:
AG0097GN
Chemical Name:
4-methylpiperidin-4-amine bis(4-methylbenzenesulfonate)
CAS Number:
1195748-61-8
Molecular Formula:
C20H30N2O6S2
Molecular Weight:
458.5920
MDL Number:
MFCD18252280
IUPAC Name:
4-methylbenzenesulfonic acid;4-methylpiperidin-4-amine
InChI:
InChI=1S/2C7H8O3S.C6H14N2/c2*1-6-2-4-7(5-3-6)11(8,9)10;1-6(7)2-4-8-5-3-6/h2*2-5H,1H3,(H,8,9,10);8H,2-5,7H2,1H3
InChI Key:
UJLCXASGERWFAD-UHFFFAOYSA-N
SMILES:
CC1(N)CCNCC1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.155g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
458.588g/mol
Monoisotopic Mass:
458.155g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties