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Home > Pyridines > 211029-71-9
211029-71-9 | Carbamic acid, N-[3-(1-propyn-1-yl)-4-pyridinyl]-, 1,1-dimethylethyl ester
CAS No: 211029-71-9 Catalog No: AG002L4W MDL No:
Product Description
Catalog Number:
AG002L4W
Chemical Name:
Carbamic acid, N-[3-(1-propyn-1-yl)-4-pyridinyl]-, 1,1-dimethylethyl ester
CAS Number:
211029-71-9
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
tert-butyl N-(3-prop-1-ynylpyridin-4-yl)carbamate
InChI:
InChI=1S/C13H16N2O2/c1-5-6-10-9-14-8-7-11(10)15-12(16)17-13(2,3)4/h7-9H,1-4H3,(H,14,15,16)
InChI Key:
DCTBMMMODOQZMY-UHFFFAOYSA-N
SMILES:
CC#Cc1cnccc1NC(=O)OC(C)(C)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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