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30356-08-2 | Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]-, (1R)-
CAS No: 30356-08-2 Catalog No: AG002ZUI MDL No:MFCD03093957
Product Description
Catalog Number:
AG002ZUI
Chemical Name:
Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]-, (1R)-
CAS Number:
30356-08-2
Molecular Formula:
C17H23NO
Molecular Weight:
257.3706
MDL Number:
MFCD03093957
IUPAC Name:
(1R)-1-[(4-methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroisoquinoline
InChI:
InChI=1S/C17H23NO/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17/h6-9,17-18H,2-5,10-12H2,1H3/t17-/m1/s1
InChI Key:
NPEVCJZMQGZNET-QGZVFWFLSA-N
SMILES:
COc1ccc(cc1)C[C@H]1NCCC2=C1CCCC2
EC Number:
250-145-0
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
257.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.377g/mol
Monoisotopic Mass:
257.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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