5,6,7,8-Tetrahydroisoquinoline

C9H11NCAS 36556-06-6133.19 g/mol

Open in Covalent MOL file
N

Properties

Molecular formula
C9H11N
Molar mass
133.19 g/mol
Exact mass
133.0891 Da
Density
1.0303 g/mL (at 29.15 °C)
Melting point
146.5 °C
Boiling point
218 °C
logP
1.96Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
36556-06-6
SMILES
c1cc2c(cn1)CCCC2
InChIKey
HTMGQIXFZMZZKD-UHFFFAOYSA-N
InChI
InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h5-7H,1-4H2

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Names and synonyms

1 names
  • Isoquinoline, 5,6,7,8-tetrahydro-

Work with 5,6,7,8-Tetrahydroisoquinoline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1H,2H,3H-Pyrrolo(3,4-c)pyridine dihydrochloride6000-50-650 % similar 6,7-Dihydro-5H-isoquinolin-8-one21917-88-447 % similar Tetralin119-64-245 % similar 1,3-Bis(4′-pyridyl)propane17252-51-642 % similar 3-Ethyl-4-methylpyridine529-21-540 % similar 1H-Pyrrolo[3,2-c]pyridin-2(3H)-one134682-54-539 % similar 1,2-Bis(4-pyridyl)ethane4916-57-839 % similar Indane496-11-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-(-)-1-Aminoindan10277-74-4 5,6,7,8-Tetrahydroquinoline10500-57-9 Tranylcypromine155-09-9 Indan-5-amine24425-40-9 2-Aminoindane2975-41-9 4-Cyclopropylaniline3158-71-2 4-Aminoindane32202-61-2 (+-)-1-Aminoindan34698-41-4

Elsewhere

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