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1219381-51-7 | 2H-3-Benzazepin-2-one, 1-amino-1,3,4,5-tetrahydro-3-methyl-, hydrochloride (1:1)
CAS No: 1219381-51-7 Catalog No: AG0016FR MDL No:
Product Description
Catalog Number:
AG0016FR
Chemical Name:
2H-3-Benzazepin-2-one, 1-amino-1,3,4,5-tetrahydro-3-methyl-, hydrochloride (1:1)
CAS Number:
1219381-51-7
Molecular Formula:
C11H15ClN2O
Molecular Weight:
226.7026
IUPAC Name:
5-amino-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride
InChI:
InChI=1S/C11H14N2O.ClH/c1-13-7-6-8-4-2-3-5-9(8)10(12)11(13)14;/h2-5,10H,6-7,12H2,1H3;1H
InChI Key:
SZVBAHZVILUGKF-UHFFFAOYSA-N
SMILES:
O=C1N(C)CCc2c(C1N)cccc2.Cl
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.704g/mol
Monoisotopic Mass:
226.087g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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