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5852-92-6 | 1,2-DIMETHYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
CAS No: 5852-92-6 Catalog No: AG00EE4T MDL No:MFCD00035272
Product Description
Catalog Number:
AG00EE4T
Chemical Name:
1,2-DIMETHYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
CAS Number:
5852-92-6
Molecular Formula:
C13H20ClNO2
Molecular Weight:
257.7564
MDL Number:
MFCD00035272
IUPAC Name:
6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline;hydrochloride
InChI:
InChI=1S/C13H19NO2.ClH/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2;/h7-9H,5-6H2,1-4H3;1H
InChI Key:
LARXMHOYLNCTFD-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCN(C2C)C.Cl
NSC Number:
36664
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.118g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.758g/mol
Monoisotopic Mass:
257.118g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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