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Home > Pyridines > 126971-79-7
126971-79-7 | Propanamide, N-[2-(hydroxy-4-pyridinylmethyl)phenyl]-2,2-dimethyl-
CAS No: 126971-79-7 Catalog No: AG000WHR MDL No:
Product Description
Catalog Number:
AG000WHR
Chemical Name:
Propanamide, N-[2-(hydroxy-4-pyridinylmethyl)phenyl]-2,2-dimethyl-
CAS Number:
126971-79-7
Molecular Formula:
C17H20N2O2
Molecular Weight:
284.3529
IUPAC Name:
tert-butyl N-[2-[hydroxy(pyridin-4-yl)methyl]phenyl]carbamate
InChI:
InChI=1S/C17H20N2O3/c1-17(2,3)22-16(21)19-14-7-5-4-6-13(14)15(20)12-8-10-18-11-9-12/h4-11,15,20H,1-3H3,(H,19,21)
InChI Key:
YXEXJROVBFAKQS-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Nc1ccccc1C(c1ccncc1)O
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.358g/mol
Monoisotopic Mass:
300.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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