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

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

CAS No.:
1461713-38-1
Catalog Number:
AG01A6VB
Molecular Formula:
C13H18ClNO
Molecular Weight:
239.7411
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Product Description
Catalog Number:
AG01A6VB
Chemical Name:
1-(2,3,4,5-tetrahydro-1H-2-benzazepin-2-yl)propan-2-one hydrochloride
CAS Number:
1461713-38-1
Molecular Formula:
C13H18ClNO
Molecular Weight:
239.7411
MDL Number:
MFCD25970446
IUPAC Name:
1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-one;hydrochloride
InChI:
InChI=1S/C13H17NO.ClH/c1-11(15)9-14-8-4-7-12-5-2-3-6-13(12)10-14;/h2-3,5-6H,4,7-10H2,1H3;1H
InChI Key:
APWNDETVNLZWIN-UHFFFAOYSA-N
SMILES:
CC(=O)CN1CCCc2c(C1)cccc2.Cl
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.108g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.743g/mol
Monoisotopic Mass:
239.108g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties