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1303889-77-1 | tert-butyl N-[cyano(pyridin-3-yl)methyl]-N-ethylcarbamate
CAS No: 1303889-77-1 Catalog No: AG01AGPC MDL No:MFCD18089516
Product Description
Catalog Number:
AG01AGPC
Chemical Name:
tert-butyl N-[cyano(pyridin-3-yl)methyl]-N-ethylcarbamate
CAS Number:
1303889-77-1
Molecular Formula:
C14H19N3O2
Molecular Weight:
261.3196
MDL Number:
MFCD18089516
IUPAC Name:
tert-butyl N-[cyano(pyridin-3-yl)methyl]-N-ethylcarbamate
InChI:
InChI=1S/C14H19N3O2/c1-5-17(13(18)19-14(2,3)4)12(9-15)11-7-6-8-16-10-11/h6-8,10,12H,5H2,1-4H3
InChI Key:
QUFUPCQZSGECCQ-UHFFFAOYSA-N
SMILES:
N#CC(N(C(=O)OC(C)(C)C)CC)c1cccnc1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.148g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.325g/mol
Monoisotopic Mass:
261.148g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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