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303162-37-0 | Carbamic acid, [4-[2-(3-methylphenyl)-2-oxoethyl]-2-pyridinyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 303162-37-0 Catalog No: AG002ZO6 MDL No:
Product Description
Catalog Number:
AG002ZO6
Chemical Name:
Carbamic acid, [4-[2-(3-methylphenyl)-2-oxoethyl]-2-pyridinyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
303162-37-0
Molecular Formula:
C19H22N2O3
Molecular Weight:
326.3896
IUPAC Name:
tert-butyl 3-amino-4-[2-(3-methylphenyl)-2-oxoethyl]pyridine-2-carboxylate
InChI:
InChI=1S/C19H22N2O3/c1-12-6-5-7-13(10-12)15(22)11-14-8-9-21-17(16(14)20)18(23)24-19(2,3)4/h5-10H,11,20H2,1-4H3
InChI Key:
RDIFXZWWURTPQL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1nccc(c1)CC(=O)c1cccc(c1)C
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.396g/mol
Monoisotopic Mass:
326.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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