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88090-00-0 | 1-Butanamine, N,N,2-trimethyl-4,4-bis(phenylsulfonyl)-
CAS No: 88090-00-0 Catalog No: AG004H2W MDL No:
Product Description
Catalog Number:
AG004H2W
Chemical Name:
1-Butanamine, N,N,2-trimethyl-4,4-bis(phenylsulfonyl)-
CAS Number:
88090-00-0
Molecular Formula:
C19H25NO4S2
Molecular Weight:
395.5361
IUPAC Name:
4,4-bis(benzenesulfonyl)-N,N,2-trimethylbutan-1-amine
InChI:
InChI=1S/C19H25NO4S2/c1-16(15-20(2)3)14-19(25(21,22)17-10-6-4-7-11-17)26(23,24)18-12-8-5-9-13-18/h4-13,16,19H,14-15H2,1-3H3
InChI Key:
ZKKOBYZATNYAGP-UHFFFAOYSA-N
SMILES:
CC(CN(C)C)CC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.123g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.532g/mol
Monoisotopic Mass:
395.123g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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