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1881328-51-3 | "5-(aminomethyl)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one hydrochloride"
CAS No: 1881328-51-3 Catalog No: AG01FMEN MDL No:MFCD29090789
Product Description
Catalog Number:
AG01FMEN
Chemical Name:
"5-(aminomethyl)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one hydrochloride"
CAS Number:
1881328-51-3
Molecular Formula:
C12H13ClN2O
Molecular Weight:
236.6974
MDL Number:
MFCD29090789
IUPAC Name:
10-(aminomethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one;hydrochloride
InChI:
InChI=1S/C12H12N2O.ClH/c13-7-10-6-9-3-1-2-8-4-5-14(11(8)9)12(10)15;/h1-3,6H,4-5,7,13H2;1H
InChI Key:
RZGAKGBICPLVGT-UHFFFAOYSA-N
SMILES:
NCc1cc2cccc3c2n(c1=O)CC3.Cl
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.699g/mol
Monoisotopic Mass:
236.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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