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88073-47-6 | 1-Butanamine, N,N-dimethyl-4,4-bis(phenylsulfonyl)-
CAS No: 88073-47-6 Catalog No: AG004ETF MDL No:
Product Description
Catalog Number:
AG004ETF
Chemical Name:
1-Butanamine, N,N-dimethyl-4,4-bis(phenylsulfonyl)-
CAS Number:
88073-47-6
Molecular Formula:
C18H23NO4S2
Molecular Weight:
381.5095
IUPAC Name:
4,4-bis(benzenesulfonyl)-N,N-dimethylbutan-1-amine
InChI:
InChI=1S/C18H23NO4S2/c1-19(2)15-9-14-18(24(20,21)16-10-5-3-6-11-16)25(22,23)17-12-7-4-8-13-17/h3-8,10-13,18H,9,14-15H2,1-2H3
InChI Key:
QCHIFVCTOGVJFN-UHFFFAOYSA-N
SMILES:
CN(CCCC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)C
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.107g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.505g/mol
Monoisotopic Mass:
381.107g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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