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36556-06-6 | 5,6,7,8-Tetrahydroisoquinoline
CAS No: 36556-06-6 Catalog No: AG003M9A MDL No:MFCD00012168
Product Description
Catalog Number:
AG003M9A
Chemical Name:
5,6,7,8-Tetrahydroisoquinoline
CAS Number:
36556-06-6
Molecular Formula:
C9H11N
Molecular Weight:
133.1903
MDL Number:
MFCD00012168
IUPAC Name:
5,6,7,8-tetrahydroisoquinoline
InChI:
InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h5-7H,1-4H2
InChI Key:
HTMGQIXFZMZZKD-UHFFFAOYSA-N
SMILES:
C1CCc2c(C1)cncc2
EC Number:
253-098-4
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.194g/mol
Monoisotopic Mass:
133.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Capillary liquid chromatography-tandem mass spectrometry of tetrahydroisoquinoline derived neurotoxins: a study on the blood-brain barrier of rat brain. | Journal of chromatography. A 20060127 |
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