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29903-68-2 | 6,7-dimethoxy-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
CAS No: 29903-68-2 Catalog No: AG00VSCT MDL No:MFCD01747244
Product Description
Catalog Number:
AG00VSCT
Chemical Name:
6,7-dimethoxy-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
CAS Number:
29903-68-2
Molecular Formula:
C19H23NO2
Molecular Weight:
297.3914
MDL Number:
MFCD01747244
IUPAC Name:
6,7-dimethoxy-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C19H23NO2/c1-21-18-12-15-10-11-20-17(16(15)13-19(18)22-2)9-8-14-6-4-3-5-7-14/h3-7,12-13,17,20H,8-11H2,1-2H3
InChI Key:
ZSTCPHVBMNDKEB-UHFFFAOYSA-N
SMILES:
COc1cc2C(NCCc2cc1OC)CCc1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.398g/mol
Monoisotopic Mass:
297.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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