Home Aminos 1-(5-amino-8-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-2-yl)ethan-1-one hydrochloride

1-(5-amino-8-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-2-yl)ethan-1-one hydrochloride

CAS No.:
1803599-65-6
Catalog Number:
AG01ACE7
Molecular Formula:
C12H16ClFN2O
Molecular Weight:
258.7196
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Product Description
Catalog Number:
AG01ACE7
Chemical Name:
1-(5-amino-8-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-2-yl)ethan-1-one hydrochloride
CAS Number:
1803599-65-6
Molecular Formula:
C12H16ClFN2O
Molecular Weight:
258.7196
MDL Number:
MFCD26407961
IUPAC Name:
1-(5-amino-8-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone;hydrochloride
InChI:
InChI=1S/C12H15FN2O.ClH/c1-8(16)15-5-4-12(14)11-3-2-10(13)6-9(11)7-15;/h2-3,6,12H,4-5,7,14H2,1H3;1H
InChI Key:
BXOBUAXIVQCKDT-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)CN(CCC2N)C(=O)C.Cl
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.094g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.721g/mol
Monoisotopic Mass:
258.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties