200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 178383-09-0
178383-09-0 | Carbamic acid, [4-(2-oxo-2-phenylethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 178383-09-0 Catalog No: AG0025ZF MDL No:
Product Description
Catalog Number:
AG0025ZF
Chemical Name:
Carbamic acid, [4-(2-oxo-2-phenylethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
178383-09-0
Molecular Formula:
C18H20N2O3
Molecular Weight:
312.3630
IUPAC Name:
tert-butyl 3-amino-4-phenacylpyridine-2-carboxylate
InChI:
InChI=1S/C18H20N2O3/c1-18(2,3)23-17(22)16-15(19)13(9-10-20-16)11-14(21)12-7-5-4-6-8-12/h4-10H,11,19H2,1-3H3
InChI Key:
OLDUQXMGLNEAIY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1nccc(c1)CC(=O)c1ccccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.147g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.369g/mol
Monoisotopic Mass:
312.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.