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Home > Pyridines > 1198107-00-4
1198107-00-4 | Carbamic acid, N-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-, 1,1-dimethylethyl ester
CAS No: 1198107-00-4 Catalog No: AG000PP1 MDL No:MFCD13563097
Product Description
Catalog Number:
AG000PP1
Chemical Name:
Carbamic acid, N-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
1198107-00-4
Molecular Formula:
C14H19N3O2
Molecular Weight:
261.3196
MDL Number:
MFCD13563097
IUPAC Name:
tert-butyl N-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]carbamate
InChI:
InChI=1S/C14H19N3O2/c1-9-5-11-10(7-16-12(11)15-6-9)8-17-13(18)19-14(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)(H,17,18)
InChI Key:
LOQBDOARKSNITE-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1c[nH]c2c1cc(C)cn2
Properties
Complexity:
327
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:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.325g/mol
Monoisotopic Mass:
261.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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