Home Other Building Blocks 2-azatricyclo[7.3.1.0,5,13]trideca-1(12),9(13),10-triene hydrochloride

2-azatricyclo[7.3.1.0,5,13]trideca-1(12),9(13),10-triene hydrochloride

CAS No.:
42025-45-6
Catalog Number:
AG01A3LJ
Molecular Formula:
C12H16ClN
Molecular Weight:
209.7151
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Product Description
Catalog Number:
AG01A3LJ
Chemical Name:
2-azatricyclo[7.3.1.0,5,13]trideca-1(12),9(13),10-triene hydrochloride
CAS Number:
42025-45-6
Molecular Formula:
C12H16ClN
Molecular Weight:
209.7151
MDL Number:
MFCD23144025
IUPAC Name:
2,3,3a,4,5,6-hexahydro-1H-benzo[de]quinoline;hydrochloride
InChI:
InChI=1S/C12H15N.ClH/c1-3-9-5-2-6-11-12(9)10(4-1)7-8-13-11;/h2,5-6,10,13H,1,3-4,7-8H2;1H
InChI Key:
PAJOSBOWCZUHOE-UHFFFAOYSA-N
SMILES:
C1CC2CCNc3c2c(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