5,6,7,8-Tetrahydroisoquinoline
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
Identifiers
CAS number
36556-06-6SMILES
c1cc2c(cn1)CCCC2InChIKey
HTMGQIXFZMZZKD-UHFFFAOYSA-NInChI
InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h5-7H,1-4H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
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