Home Aminos 3-amino-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl)propan-1-one hydrochloride

3-amino-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl)propan-1-one hydrochloride

CAS No.:
1311315-92-0
Catalog Number:
AG01AHVU
Molecular Formula:
C12H17ClN2O2
Molecular Weight:
256.7286
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Product Description
Catalog Number:
AG01AHVU
Chemical Name:
3-amino-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl)propan-1-one hydrochloride
CAS Number:
1311315-92-0
Molecular Formula:
C12H17ClN2O2
Molecular Weight:
256.7286
MDL Number:
MFCD18785610
IUPAC Name:
3-amino-1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one;hydrochloride
InChI:
InChI=1S/C12H16N2O2.ClH/c13-6-5-12(15)14-7-8-16-11-4-2-1-3-10(11)9-14;/h1-4H,5-9,13H2;1H
InChI Key:
GWZLKMNBCZHTDB-UHFFFAOYSA-N
SMILES:
NCCC(=O)N1CCOc2c(C1)cccc2.Cl
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.098g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
256.73g/mol
Monoisotopic Mass:
256.098g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties