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70917-84-9 | 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethan-1-ol
CAS No: 70917-84-9 Catalog No: AG01EMMJ MDL No:MFCD20665793
Product Description
Catalog Number:
AG01EMMJ
Chemical Name:
2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethan-1-ol
CAS Number:
70917-84-9
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD20665793
IUPAC Name:
2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanol
InChI:
InChI=1S/C11H15NO/c13-6-5-11-7-9-3-1-2-4-10(9)8-12-11/h1-4,11-13H,5-8H2
InChI Key:
WKACBLSJQCIWIQ-UHFFFAOYSA-N
SMILES:
OCCC1NCc2c(C1)cccc2
Properties
Complexity:
160
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:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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