200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 1234616-68-2
1234616-68-2 | Carbamic acid, N-[(1,2-dihydro-1-methyl-2-oxo-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 1234616-68-2 Catalog No: AG000KN7 MDL No:MFCD17214344
Product Description
Catalog Number:
AG000KN7
Chemical Name:
Carbamic acid, N-[(1,2-dihydro-1-methyl-2-oxo-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
1234616-68-2
Molecular Formula:
C12H18N2O3
Molecular Weight:
238.2829
MDL Number:
MFCD17214344
IUPAC Name:
tert-butyl N-[(1-methyl-2-oxopyridin-3-yl)methyl]carbamate
InChI:
InChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)13-8-9-6-5-7-14(4)10(9)15/h5-7H,8H2,1-4H3,(H,13,16)
InChI Key:
POHFPUIVQAHADU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1cccn(c1=O)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.287g/mol
Monoisotopic Mass:
238.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.