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31756-14-6 | 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-(phenylmethyl)isoquinoline
CAS No: 31756-14-6 Catalog No: AG00CL17 MDL No:
Product Description
Catalog Number:
AG00CL17
Chemical Name:
1,2,3,4-Tetrahydro-6,7-dimethoxy-2-(phenylmethyl)isoquinoline
CAS Number:
31756-14-6
Molecular Formula:
C18H21NO2
Molecular Weight:
283.3648
IUPAC Name:
2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C18H21NO2/c1-20-17-10-15-8-9-19(12-14-6-4-3-5-7-14)13-16(15)11-18(17)21-2/h3-7,10-11H,8-9,12-13H2,1-2H3
InChI Key:
CAWSVFVFDPTCOZ-UHFFFAOYSA-N
SMILES:
COc1cc2CN(CCc2cc1OC)Cc1ccccc1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.157g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.371g/mol
Monoisotopic Mass:
283.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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