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144657-65-8 | 1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-[(dimethylamino)methyl]-, 1,1-dimethylethyl ester
CAS No: 144657-65-8 Catalog No: AG001JY9 MDL No:
Product Description
Catalog Number:
AG001JY9
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-[(dimethylamino)methyl]-, 1,1-dimethylethyl ester
CAS Number:
144657-65-8
Molecular Formula:
C15H21N3O2
Molecular Weight:
275.3461
IUPAC Name:
tert-butyl 3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate
InChI:
InChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)18-10-11(9-17(4)5)12-7-6-8-16-13(12)18/h6-8,10H,9H2,1-5H3
InChI Key:
ZNJZRJCULHGHCM-UHFFFAOYSA-N
SMILES:
CN(Cc1cn(c2c1cccn2)C(=O)OC(C)(C)C)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.352g/mol
Monoisotopic Mass:
275.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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