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25200-13-9 | 1,2,3,4-Tetrahydro-1,1-dimethyl-6-isoquinolinol
CAS No: 25200-13-9 Catalog No: AG003AON MDL No:
Product Description
Catalog Number:
AG003AON
Chemical Name:
1,2,3,4-Tetrahydro-1,1-dimethyl-6-isoquinolinol
CAS Number:
25200-13-9
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
IUPAC Name:
1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-ol
InChI:
InChI=1S/C11H15NO/c1-11(2)10-4-3-9(13)7-8(10)5-6-12-11/h3-4,7,12-13H,5-6H2,1-2H3
InChI Key:
BRCLAMCVMFMRNS-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)CCNC2(C)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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