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62928-94-3 | (1,2,3,4-tetrahydro-isoquinolin-3-yl)-methanol
CAS No: 62928-94-3 Catalog No: AG00EKSH MDL No:
Product Description
Catalog Number:
AG00EKSH
Chemical Name:
(1,2,3,4-tetrahydro-isoquinolin-3-yl)-methanol
CAS Number:
62928-94-3
IUPAC Name:
1,2,3,4-tetrahydroisoquinolin-3-ylmethanol
InChI:
InChI=1S/C10H13NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,10-12H,5-7H2
InChI Key:
ZSKDXMLMMQFHGW-UHFFFAOYSA-N
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Role of conformational isomerism in solvent-mediated charge transfer in chiral (S) 1,2,3,4-tetrahydro-3-isoquinoline methanol (THIQM): condensed-phase to jet-cooled spectroscopic studies. | The journal of physical chemistry. A 20110901 |
| Jet-cooled hydrates of chiral (S) 1,2,3,4-tetrahydro-3-isoquinoline methanol (THIQM): structure and mechanism of formation. | Physical chemistry chemical physics : PCCP 20110821 |
| Chirality-dependent hydrogen bond direction in jet-cooled (S)-1,2,3,4-tetrahydro-3-isoquinoline methanol (THIQM): IR-ion dip vibrational spectroscopy of the neutral and the ion. | Physical chemistry chemical physics : PCCP 20090707 |
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