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Home > Pyridines > 257937-11-4
257937-11-4 | tert-butyl N-{3-[2-(methanesulfonyloxy)propyl]pyridin-4-yl}carbamate
CAS No: 257937-11-4 Catalog No: AG01ALPP MDL No:MFCD28968217
Product Description
Catalog Number:
AG01ALPP
Chemical Name:
tert-butyl N-{3-[2-(methanesulfonyloxy)propyl]pyridin-4-yl}carbamate
CAS Number:
257937-11-4
Molecular Formula:
C14H22N2O5S
Molecular Weight:
330.3999
MDL Number:
MFCD28968217
IUPAC Name:
1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]propan-2-yl methanesulfonate
InChI:
InChI=1S/C14H22N2O5S/c1-10(21-22(5,18)19)8-11-9-15-7-6-12(11)16-13(17)20-14(2,3)4/h6-7,9-10H,8H2,1-5H3,(H,15,16,17)
InChI Key:
UCXDUHVRUDYMTP-UHFFFAOYSA-N
SMILES:
CC(OS(=O)(=O)C)Cc1cnccc1NC(=O)OC(C)(C)C
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.125g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.399g/mol
Monoisotopic Mass:
330.125g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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