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Home > Imidazoles > 1269293-39-1
1269293-39-1 | Carbamic acid, N-[2-(3H-imidazo[4,5-b]pyridin-2-yl)ethyl]-, 1,1-dimethylethyl ester
CAS No: 1269293-39-1 Catalog No: AG000WDD MDL No:
Product Description
Catalog Number:
AG000WDD
Chemical Name:
Carbamic acid, N-[2-(3H-imidazo[4,5-b]pyridin-2-yl)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
1269293-39-1
Molecular Formula:
C13H18N4O2
Molecular Weight:
262.3076
IUPAC Name:
tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
InChI:
InChI=1S/C13H18N4O2/c1-13(2,3)19-12(18)15-8-6-10-16-9-5-4-7-14-11(9)17-10/h4-5,7H,6,8H2,1-3H3,(H,15,18)(H,14,16,17)
InChI Key:
YCYWUTFHHVXNFK-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCc1nc2c([nH]1)nccc2
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.143g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.313g/mol
Monoisotopic Mass:
262.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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