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87870-07-3 | Isoquinoline, 6-chloro-1,2,3,4-tetrahydro-1,4-dimethyl-, hydrochloride
CAS No: 87870-07-3 Catalog No: AG004G55 MDL No:
Product Description
Catalog Number:
AG004G55
Chemical Name:
Isoquinoline, 6-chloro-1,2,3,4-tetrahydro-1,4-dimethyl-, hydrochloride
CAS Number:
87870-07-3
Molecular Formula:
C11H15Cl2N
Molecular Weight:
232.1495
IUPAC Name:
6-chloro-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C11H14ClN.ClH/c1-7-6-13-8(2)10-4-3-9(12)5-11(7)10;/h3-5,7-8,13H,6H2,1-2H3;1H
InChI Key:
HYCVCMRIYJHSPD-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(C)CNC2C.Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.148g/mol
Monoisotopic Mass:
231.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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