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114414-00-5 | Acetamide, N-methyl-N-[3-[(methylsulfonyl)oxy]-3-phenylpropyl]-
CAS No: 114414-00-5 Catalog No: AG000B9T MDL No:
Product Description
Catalog Number:
AG000B9T
Chemical Name:
Acetamide, N-methyl-N-[3-[(methylsulfonyl)oxy]-3-phenylpropyl]-
CAS Number:
114414-00-5
Molecular Formula:
C13H19NO4S
Molecular Weight:
285.3593
IUPAC Name:
[3-[acetyl(methyl)amino]-1-phenylpropyl] methanesulfonate
InChI:
InChI=1S/C13H19NO4S/c1-11(15)14(2)10-9-13(18-19(3,16)17)12-7-5-4-6-8-12/h4-8,13H,9-10H2,1-3H3
InChI Key:
PODSRQPTUWGSQX-UHFFFAOYSA-N
SMILES:
CC(=O)N(CCC(c1ccccc1)OS(=O)(=O)C)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.358g/mol
Monoisotopic Mass:
285.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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