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1818847-61-8 | 2H-Pyrrolo[2,3-b]pyridin-2-one, 4-(aminomethyl)-1,3-dihydro-, hydrochloride (1:2)
CAS No: 1818847-61-8 Catalog No: AG002372 MDL No:MFCD29060190
Product Description
Catalog Number:
AG002372
Chemical Name:
2H-Pyrrolo[2,3-b]pyridin-2-one, 4-(aminomethyl)-1,3-dihydro-, hydrochloride (1:2)
CAS Number:
1818847-61-8
Molecular Formula:
C8H11Cl2N3O
Molecular Weight:
236.0984
MDL Number:
MFCD29060190
IUPAC Name:
4-(aminomethyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;dihydrochloride
InChI:
InChI=1S/C8H9N3O.2ClH/c9-4-5-1-2-10-8-6(5)3-7(12)11-8;;/h1-2H,3-4,9H2,(H,10,11,12);2*1H
InChI Key:
GECPSTYRWJWWHA-UHFFFAOYSA-N
SMILES:
NCc1ccnc2c1CC(=O)N2.Cl.Cl
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
236.096g/mol
Monoisotopic Mass:
235.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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