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113527-33-6 | 4-Isoquinolinol, 8-amino-1,2,3,4-tetrahydro-2-methyl-4-phenyl-
CAS No: 113527-33-6 Catalog No: AG0008WE MDL No:
Product Description
Catalog Number:
AG0008WE
Chemical Name:
4-Isoquinolinol, 8-amino-1,2,3,4-tetrahydro-2-methyl-4-phenyl-
CAS Number:
113527-33-6
Molecular Formula:
C16H18N2O
Molecular Weight:
254.3269
IUPAC Name:
8-amino-2-methyl-4-phenyl-1,3-dihydroisoquinolin-4-ol
InChI:
InChI=1S/C16H18N2O/c1-18-10-13-14(8-5-9-15(13)17)16(19,11-18)12-6-3-2-4-7-12/h2-9,19H,10-11,17H2,1H3
InChI Key:
OMGDDWHXYLCKAG-UHFFFAOYSA-N
SMILES:
CN1Cc2c(N)cccc2C(C1)(O)c1ccccc1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.333g/mol
Monoisotopic Mass:
254.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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