1-(3-phenylpropyl)-1,4-diazepane bis(4-methylbenzenesulfonate)


Chemical Name: 1-(3-phenylpropyl)-1,4-diazepane bis(4-methylbenzenesulfonate)
CAS Number: 1255717-85-1
Product Number: AG00J14B(AGN-PC-0WB6FS)
Synonyms:
MDL No: MFCD13193847
Molecular Formula: C28H38N2O6S2
Molecular Weight: 562.7411

Identification/Properties


Computed Properties
Molecular Weight:
562.74g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
6
Exact Mass:
562.217g/mol
Monoisotopic Mass:
562.217g/mol
Topological Polar Surface Area:
141A^2
Heavy Atom Count:
38
Formal Charge:
0
Complexity:
382
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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