Home Aminos 2-amino-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)ethanone

2-amino-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)ethanone

CAS No.:
1224605-39-3
Catalog Number:
AG01BKD7
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
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Product Description
Catalog Number:
AG01BKD7
Chemical Name:
2-amino-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)ethanone
CAS Number:
1224605-39-3
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
MDL Number:
MFCD21249112
IUPAC Name:
2-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
InChI:
InChI=1S/C12H16N2O/c13-9-12(15)14-8-4-3-6-10-5-1-2-7-11(10)14/h1-2,5,7H,3-4,6,8-9,13H2
InChI Key:
AOKUXSUNOZPFPK-UHFFFAOYSA-N
SMILES:
NCC(=O)N1CCCCc2c1cccc2
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties