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887579-76-2 | tert-Butyl 5-(aminomethyl);nicotinate
CAS No: 887579-76-2 Catalog No: AG004CG7 MDL No:
Product Description
Catalog Number:
AG004CG7
Chemical Name:
tert-Butyl 5-(aminomethyl);nicotinate
CAS Number:
887579-76-2
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
IUPAC Name:
tert-butyl 5-(aminomethyl)pyridine-3-carboxylate
InChI:
InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)9-4-8(5-12)6-13-7-9/h4,6-7H,5,12H2,1-3H3
InChI Key:
RMLLKHGSNWXKGB-UHFFFAOYSA-N
SMILES:
NCc1cncc(c1)C(=O)OC(C)(C)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.261g/mol
Monoisotopic Mass:
208.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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