chempirical

Tetrahydroisoquinoline

C9H11NCAS 91-21-4133.19 g/mol

Open in Covalent MOL file
NH
Secondary amine

Properties

Molecular formula
C9H11N
Molar mass
133.19 g/mol
Exact mass
133.0891 Da
Density
1.06 g/mL
Melting point
below −15 °C
Boiling point
232.5 °C
logP
1.33Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
91-21-4
SMILES
c1ccc2c(c1)CCNC2
InChIKey
UWYZHKAOTLEWKK-UHFFFAOYSA-N
InChI
InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names
  • Isoquinoline, 1,2,3,4-tetrahydro-
  • 1,2,3,4-Tetrahydroisoquinoline
  • 1,2,3,4-Tetrahydro-2-isoquinoline
  • 1,2,3,4-Tetrahydro-2-azanaphthalene
  • 3,4-Dihydro-1H-isoquinoline
  • NSC 15312
  • 1,2,3,4-Tetrahydroisoquinline

Work with 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

1,2,3,4-Tetrahydroisoquinoline hydrochloride14099-81-186 % similar Tetralin119-64-252 % similar Indane496-11-752 % similar Benzylphenethylamine3647-71-052 % similar 6-Hydroxy-1,2,3,4-tetrahydroisoquinoline14446-24-352 % similar 7-Bromo-1,2,3,4-tetrahydroisoquinoline17680-55-652 % similar 8-Bromo-1,2,3,4-tetrahydroisoquinoline75416-51-252 % similar Benzocyclobutene694-87-150 % 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 5-Aminoindan24425-40-9 2-Aminoindane2975-41-9 4-Aminoindane32202-61-2 (±)-1-Aminoindan34698-41-4 5,6,7,8-Tetrahydroisoquinoline36556-06-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia