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3230-65-7 | 3,4-DIHYDROISOQUINOLINE
CAS No: 3230-65-7 Catalog No: AG00C0FB MDL No:MFCD00033714
Product Description
Catalog Number:
AG00C0FB
Chemical Name:
3,4-DIHYDROISOQUINOLINE
CAS Number:
3230-65-7
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
MDL Number:
MFCD00033714
IUPAC Name:
3,4-dihydroisoquinoline
InChI:
InChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,7H,5-6H2
InChI Key:
NKSZCPBUWGZONP-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)C=NCC2
EC Number:
221-769-0
NSC Number:
3007
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Direct functionalization of (un)protected tetrahydroisoquinoline and isochroman under iron and copper catalysis: two metals, two mechanisms. | The Journal of organic chemistry 20111104 |
| Catalytic asymmetric allylation of 3,4-dihydroisoquinolines and its application to the synthesis of isoquinoline alkaloids. | The Journal of organic chemistry 20110121 |
| In silico quantitative structure-activity relationship studies on P-gp modulators of tetrahydroisoquinoline-ethyl-phenylamine series. | BMC structural biology 20110101 |
| Novel 5, 6-Dihydropyrrolo[2,1-a]isoquinolines as Scaffolds for Synthesis of Lamellarin Analogues. | Evidence-based complementary and alternative medicine : eCAM 20110101 |
| Graphite-supported gold nanoparticles as efficient catalyst for aerobic oxidation of benzylic amines to imines and N-substituted 1,2,3,4-tetrahydroisoquinolines to amides: synthetic applications and mechanistic study. | Chemistry, an Asian journal 20091005 |
| Solution-phase parallel synthesis and evaluation of anticonvulsant activity of N-substituted-3,4-dihydroisoquinoline-2(1H)-carboxamides. | European journal of medicinal chemistry 20090301 |
| Treatment of landfill leachate by electrochemical oxidation and anaerobic process. | Water environment research : a research publication of the Water Environment Federation 20070501 |
| Solid-phase synthesis of tetrahydro-beta-carbolines and tetrahydroisoquinolines by stereoselective intramolecular N-carbamyliminium Pictet-Spengler reactions. | Chemistry (Weinheim an der Bergstrasse, Germany) 20061025 |
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