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94213-55-5 | 1-(3,4-DIMETHOXYBENZYL)-2,3-DIHYDRO-6,7-DIMETHOXYISOQUINOLINIUM CHLORIDE
CAS No: 94213-55-5 Catalog No: AG0065WJ MDL No:
Product Description
Catalog Number:
AG0065WJ
Chemical Name:
1-(3,4-DIMETHOXYBENZYL)-2,3-DIHYDRO-6,7-DIMETHOXYISOQUINOLINIUM CHLORIDE
CAS Number:
94213-55-5
Molecular Formula:
C20H24ClNO4
Molecular Weight:
377.8619
IUPAC Name:
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2,3-dihydroisoquinoline;hydrochloride
InChI:
InChI=1S/C20H23NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-7,10-12,21H,8-9H2,1-4H3;1H
InChI Key:
MVTPOTQDXJYTFQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)CC1=c2cc(OC)c(cc2=CC[NH2+]1)OC.[Cl-]
EC Number:
303-759-9
NSC Number:
99802
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.139g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
377.865g/mol
Monoisotopic Mass:
377.139g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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