Tryptoline

C₁₁H₁₂N₂CAS 16502-01-5172.23 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₁H₁₂N₂
Molar mass: 172.23 g/mol
Exact mass: 172.1000 Da
Melting point: 204–205 °C
logP: 1.81Crippen estimate
Polar surface area: 27.8 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation95.1% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 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

16502-01-5

SMILES

c1ccc2c3c([nH]c2c1)CNCC3

InChIKey

CFTOTSJVQRFXOF-UHFFFAOYSA-N

InChI

InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2

Weigh it out

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

Names and synonyms

12 names

1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-
2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indole
1,2,3,4-Tetrahydro-β-carboline
Norharman, 1,2,3,4-tetrahydro-
Noreleagnine
Tetrahydronorharman
Tetrahydro-β-carboline
THBC
1,2,3,4-Tetrahydro-9H-pyrido[3,4-b]indole
2,3,4,9-Tetrahydro-1H-β-carboline
2,3,4,9-Tetrahydro-1H-pyrido[4,3-b]indole
1H,2H,3H,4H,9H-Pyrido[3,4-b]indole

Reactions

1,2,3,4-TETRAHYDRO-β-CARBOLINE (1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-)product

Work with Tryptoline

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2,3,4-Tetrahydrocarbazole942-01-858 % similar Lycoperodine-142438-90-443 % similar 1,2,3,4-Tetrahydro-β-carboline-3-carboxylic acid6052-68-243 % similar Tacrine321-64-243 % similar 2-Methyltryptamine2731-06-840 % similar Carbazole86-74-840 % similar Panobinostat404950-80-740 % similar Tacrine hydrochloride1684-40-840 % similar

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

Same formula

3,5-Dimethyl-1-phenylpyrazole1131-16-4 1-Benzyl-2-methylimidazole13750-62-4 2,3,6-Trimethylquinoxaline17635-21-1

Elsewhere

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