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Home > Other Heterocycles > 1803581-83-0
1803581-83-0 | 3-benzyl-3-azabicyclo[3.1.1]heptan-6-one hydrochloride
CAS No: 1803581-83-0 Catalog No: AG01AG1E MDL No:MFCD27920309
Product Description
Catalog Number:
AG01AG1E
Chemical Name:
3-benzyl-3-azabicyclo[3.1.1]heptan-6-one hydrochloride
CAS Number:
1803581-83-0
Molecular Formula:
C13H16ClNO
Molecular Weight:
237.7252
MDL Number:
MFCD27920309
IUPAC Name:
3-benzyl-3-azabicyclo[3.1.1]heptan-6-one;hydrochloride
InChI:
InChI=1S/C13H15NO.ClH/c15-13-11-6-12(13)9-14(8-11)7-10-4-2-1-3-5-10;/h1-5,11-12H,6-9H2;1H
InChI Key:
BLYLDZPTTKAKNJ-UHFFFAOYSA-N
SMILES:
O=C1C2CC1CN(C2)Cc1ccccc1.Cl
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.727g/mol
Monoisotopic Mass:
237.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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