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3160-23-4 | 1H,2H,3H,4H,6H,7H,8H,9H-cyclohexa[g]isoquinoline hydrochloride
CAS No: 3160-23-4 Catalog No: AG01DZ9T MDL No:
Product Description
Catalog Number:
AG01DZ9T
Chemical Name:
1H,2H,3H,4H,6H,7H,8H,9H-cyclohexa[g]isoquinoline hydrochloride
CAS Number:
3160-23-4
Molecular Formula:
C13H18ClN
Molecular Weight:
223.7417
IUPAC Name:
1,2,3,4,6,7,8,9-octahydrobenzo[g]isoquinoline;hydrochloride
InChI:
InChI=1S/C13H17N.ClH/c1-2-4-11-8-13-9-14-6-5-12(13)7-10(11)3-1;/h7-8,14H,1-6,9H2;1H
InChI Key:
PRSJXEWHNCYMHX-UHFFFAOYSA-N
SMILES:
C1CCc2c(C1)cc1c(c2)CCNC1.Cl
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.113g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.744g/mol
Monoisotopic Mass:
223.113g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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