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Home > Pyridines > 303162-34-7
303162-34-7 | Carbamic acid, [4-[2-(3,5-dimethylphenyl)-2-oxoethyl]-2-pyridinyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 303162-34-7 Catalog No: AG002ZO7 MDL No:
Product Description
Catalog Number:
AG002ZO7
Chemical Name:
Carbamic acid, [4-[2-(3,5-dimethylphenyl)-2-oxoethyl]-2-pyridinyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
303162-34-7
Molecular Formula:
C20H24N2O3
Molecular Weight:
340.4162
IUPAC Name:
tert-butyl 3-amino-4-[2-(3,5-dimethylphenyl)-2-oxoethyl]pyridine-2-carboxylate
InChI:
InChI=1S/C20H24N2O3/c1-12-8-13(2)10-15(9-12)16(23)11-14-6-7-22-18(17(14)21)19(24)25-20(3,4)5/h6-10H,11,21H2,1-5H3
InChI Key:
RRUISYQZAMXCDC-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1nccc(c1)CC(=O)c1cc(C)cc(c1)C
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.179g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.423g/mol
Monoisotopic Mass:
340.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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