Home Halogens 7-chloro-2-ethyl-1-methyl-1,2,3,4-tetrahydroisoquinoline

7-chloro-2-ethyl-1-methyl-1,2,3,4-tetrahydroisoquinoline

CAS No.:
1394790-11-4
Catalog Number:
AG01A0XV
Molecular Formula:
C12H16ClN
Molecular Weight:
209.7151
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Product Description
Catalog Number:
AG01A0XV
Chemical Name:
7-chloro-2-ethyl-1-methyl-1,2,3,4-tetrahydroisoquinoline
CAS Number:
1394790-11-4
Molecular Formula:
C12H16ClN
Molecular Weight:
209.7151
MDL Number:
MFCD22392089
IUPAC Name:
7-chloro-2-ethyl-1-methyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C12H16ClN/c1-3-14-7-6-10-4-5-11(13)8-12(10)9(14)2/h4-5,8-9H,3,6-7H2,1-2H3
InChI Key:
XVYRQOSNLRTEDE-UHFFFAOYSA-N
SMILES:
CC1N(CC)CCc2c1cc(Cl)cc2
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
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:
0
Isotope Atom Count:
0
Molecular Weight:
209.717g/mol
Monoisotopic Mass:
209.097g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties