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52759-05-4 | 6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CAS No: 52759-05-4 Catalog No: AG019Y8H MDL No:MFCD07366339
Product Description
Catalog Number:
AG019Y8H
Chemical Name:
6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CAS Number:
52759-05-4
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
MDL Number:
MFCD07366339
IUPAC Name:
6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C13H19NO2/c1-3-15-12-7-10-5-6-14-9-11(10)8-13(12)16-4-2/h7-8,14H,3-6,9H2,1-2H3
InChI Key:
SFFCFYBFMSQXRO-UHFFFAOYSA-N
SMILES:
CCOc1cc2CNCCc2cc1OCC
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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