Home Other Building Blocks 3-azatricyclo[7.3.1.0,5,13]trideca-5,7,9(13)-triene hydrochloride

3-azatricyclo[7.3.1.0,5,13]trideca-5,7,9(13)-triene hydrochloride

CAS No.:
42025-42-3
Catalog Number:
AG01EJ71
Molecular Formula:
C12H16ClN
Molecular Weight:
209.7151
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Product Description
Catalog Number:
AG01EJ71
Chemical Name:
3-azatricyclo[7.3.1.0,5,13]trideca-5,7,9(13)-triene hydrochloride
CAS Number:
42025-42-3
Molecular Formula:
C12H16ClN
Molecular Weight:
209.7151
MDL Number:
MFCD31666185
IUPAC Name:
2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinoline;hydrochloride
InChI:
InChI=1S/C12H15N.ClH/c1-3-9-4-2-6-11-8-13-7-10(5-1)12(9)11;/h1,3,5,11,13H,2,4,6-8H2;1H
InChI Key:
KNFVPECEMLEHDQ-UHFFFAOYSA-N
SMILES:
C1CC2CNCc3c2c(C1)ccc3.Cl
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.097g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.717g/mol
Monoisotopic Mass:
209.097g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties