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Home > Pyridines > 1142191-79-4
1142191-79-4 | Carbamic acid, N-[(4,5-dimethoxy-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 1142191-79-4 Catalog No: AG000AUR MDL No:MFCD11857712
Product Description
Catalog Number:
AG000AUR
Chemical Name:
Carbamic acid, N-[(4,5-dimethoxy-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
1142191-79-4
Molecular Formula:
C13H20N2O4
Molecular Weight:
268.3089
MDL Number:
MFCD11857712
IUPAC Name:
tert-butyl N-[(4,5-dimethoxypyridin-3-yl)methyl]carbamate
InChI:
InChI=1S/C13H20N2O4/c1-13(2,3)19-12(16)15-7-9-6-14-8-10(17-4)11(9)18-5/h6,8H,7H2,1-5H3,(H,15,16)
InChI Key:
QLZIMMWYZWGOFP-UHFFFAOYSA-N
SMILES:
COc1c(cncc1OC)CNC(=O)OC(C)(C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.313g/mol
Monoisotopic Mass:
268.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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