chempirical

1,2,3,4-Tetrahydrocarbazole

C12H13NCAS 942-01-8171.24 g/mol

Open in Covalent MOL file
NH

Properties

Molecular formula
C12H13N
Molar mass
171.24 g/mol
Exact mass
171.1048 Da
Melting point
120 °C
Boiling point
327.5 °C
logP
3.05Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 74 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
942-01-8
SMILES
c1ccc2c3c([nH]c2c1)CCCC3
InChIKey
XKLNOVWDVMWTOB-UHFFFAOYSA-N
InChI
InChI=1S/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,13H,2,4,6,8H2

Weigh it out

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

Names and synonyms

9 names
  • 1H-Carbazole, 2,3,4,9-tetrahydro-
  • Carbazole, 1,2,3,4-tetrahydro-
  • 2,3,4,9-Tetrahydro-1H-carbazole
  • 2,3-Tetramethyleneindole
  • 2,3-Tetramethylene-1H-indole
  • 1H-Indole, 2,3-(1,4-butanediyl)-
  • 1,2,3,4-Tetrahydro-9H-carbazole
  • NSC 17329
  • 5,6,7,8-Tetrahydro-9H-carbazole

Reactions

Work with 1,2,3,4-Tetrahydrocarbazole

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

6,7,8,9,10,11-Hexahydro-5H-cycloocta[B]indole22793-63-196 % similar Tacrine321-64-271 % similar Tacrine hydrochloride1684-40-865 % similar Tryptoline16502-01-558 % similar 1H,2H,3H,4H,5H-Pyrido[4,3-b]indole6208-60-258 % similar 1,2,3,9-Tetrahydro-4H-carbazol-4-one15128-52-649 % similar Carbazole86-74-846 % similar 2-Methyltryptamine2731-06-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(-)-1-(1-Naphthyl)ethylamine10420-89-0 N-Ethyl-1-naphthalenamine118-44-5 6-Isopropylquinoline135-79-5 Rasagiline136236-51-6 N-Methyl-1-naphthalenemethanamine14489-75-9 N,N-Dimethyl-2-naphthalenamine2436-85-3 (-)-1-(2-Naphthyl)ethylamine3082-62-0 (+)-1-(1-Naphthyl)ethylamine3886-70-2

Elsewhere

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