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1881322-03-7 | "6-(aminomethyl)-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one hydrochloride"
CAS No: 1881322-03-7 Catalog No: AG01FMF0 MDL No:MFCD29090790
Product Description
Catalog Number:
AG01FMF0
Chemical Name:
"6-(aminomethyl)-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one hydrochloride"
CAS Number:
1881322-03-7
Molecular Formula:
C13H15ClN2O
Molecular Weight:
250.7240
MDL Number:
MFCD29090790
IUPAC Name:
3-(aminomethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one;hydrochloride
InChI:
InChI=1S/C13H14N2O.ClH/c14-8-11-7-10-4-1-3-9-5-2-6-15(12(9)10)13(11)16;/h1,3-4,7H,2,5-6,8,14H2;1H
InChI Key:
BYYPCYIRGFFTTI-UHFFFAOYSA-N
SMILES:
NCc1cc2cccc3c2n(c1=O)CCC3.Cl
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.726g/mol
Monoisotopic Mass:
250.087g/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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