Tiletamine

C₁₂H₁₇NOSCAS 14176-49-9223.33 g/mol

Open in Covalent MOL file

Ketone Secondary amine

Properties

Molecular formula: C₁₂H₁₇NOS
Molar mass: 223.33 g/mol
Exact mass: 223.1031 Da
logP: 2.70Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H332 Harmful if inhaled100% of notifiers

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

Precautionary statements

P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, P501

Identifiers

CAS number

14176-49-9

SMILES

CCNC1(c2cccs2)CCCCC1=O

InChIKey

QAXBVGVYDCAVLV-UHFFFAOYSA-N

InChI

InChI=1S/C12H17NOS/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14/h5,7,9,13H,2-4,6,8H2,1H3

Weigh it out

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

Names and synonyms

4 names

Cyclohexanone, 2-(ethylamino)-2-(2-thienyl)-
2-(Ethylamino)-2-(2-thienyl)cyclohexanone
2-(Ethylamino)-2-(thiophen-2-yl)cyclohexanone
2-(Ethylamino)-2-(thiophen-2-yl)cyclohexan-1-one

Work with Tiletamine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tiletamine hydrochloride14176-50-2Salt

Similar compounds

Deschloroketamine hydrochloride4631-27-043 % similar 2-(2-Fluorophenyl)-2-(methylamino)cyclohexanone111982-50-442 % similar Ketamine hydrochloride1867-66-939 % similar (R)-(+)-Ketamine hydrochloride33795-24-339 % similar 2-Octanoylthiophene30711-41-235 % similar 2-Chloro-2-methylcyclohexan-1-one10409-46-834 % similar 2-n-Butyl-2-methylcyclohexanone1197-78-034 % similar Methyl alpha-hydroxy-alpha-2-thienyl-2-thiopheneacetate26447-85-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook