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883-87-4

883-87-4 | Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-, hydrochloride (1:1), (1S)-

CAS No: 883-87-4 Catalog No: AG008D9B MDL No:

Product Description

Catalog Number:
AG008D9B
Chemical Name:
Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-, hydrochloride (1:1), (1S)-
CAS Number:
883-87-4
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
IUPAC Name:
(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C12H17NO2.ClH/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8;/h6-8,13H,4-5H2,1-3H3;1H/t8-;/m0./s1
InChI Key:
UJXLTDHDLUBZBL-QRPNPIFTSA-N
SMILES:
COc1cc2[C@H](C)NCCc2cc1OC.Cl
EC Number:
212-934-8

Properties

Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
243.103g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.731g/mol
Monoisotopic Mass:
243.103g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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