Home Other Building Blocks 1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethan-1-one hydrochloride

1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethan-1-one hydrochloride

CAS No.:
34685-21-7
Catalog Number:
AG01A2QI
Molecular Formula:
C12H16ClNO
Molecular Weight:
225.7145
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Product Description
Catalog Number:
AG01A2QI
Chemical Name:
1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethan-1-one hydrochloride
CAS Number:
34685-21-7
Molecular Formula:
C12H16ClNO
Molecular Weight:
225.7145
MDL Number:
MFCD22578702
IUPAC Name:
1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;hydrochloride
InChI:
InChI=1S/C12H15NO.ClH/c1-9(14)11-3-2-10-4-6-13-7-5-12(10)8-11;/h2-3,8,13H,4-7H2,1H3;1H
InChI Key:
DGDHQQAMCAPHEC-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)CCNCC2.Cl
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.092g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
225.716g/mol
Monoisotopic Mass:
225.092g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties