Tacrine

C₁₃H₁₄N₂CAS 321-64-2198.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₄N₂
Molar mass: 198.27 g/mol
Exact mass: 198.1157 Da
Melting point: 183.5 °C
pKa: 9.8
logP: 2.53Crippen estimate
Polar surface area: 39.6 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H351 Suspected of causing cancer100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

321-64-2

SMILES

N=c1c2c([nH]c3ccccc13)CCCC2

InChIKey

YLJREFDVOIBQDA-UHFFFAOYSA-N

InChI

InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)

Weigh it out

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

Names and synonyms

12 names

9-Acridinamine, 1,2,3,4-tetrahydro-
Acridine, 9-amino-1,2,3,4-tetrahydro-
Acridine, 9-aminotetrahydro-
1,2,3,4-Tetrahydro-9-acridinamine
9-Amino-1,2,3,4-tetrahydroacridine
Tetrahydroaminacrine
Tetrahydroaminocrine
Tetrahydroaminoacridine
Tetrahydroaminocrin
1,2,3,4-Tetrahydro-9-aminoacridine
THA
1,2,3,4-Tetrahydro-acridin-9-ylamine

Work with Tacrine

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.

Tacrine hydrochloride1684-40-8Salt

Similar compounds

1,2,3,4-Tetrahydrocarbazole942-01-871 % similar 6,7,8,9,10,11-Hexahydro-5H-cycloocta[B]indole22793-63-169 % similar 9-Aminoacridine90-45-955 % similar 1H,2H,3H,4H,5H-Pyrido[4,3-b]indole6208-60-246 % similar 9-Aminoacridine hydrochloride monohydrate52417-22-846 % similar 1,2,3,9-Tetrahydro-4H-carbazol-4-one15128-52-643 % similar Tryptoline16502-01-543 % similar Carbazole86-74-839 % similar

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

Same formula

4,4′-Methylenedianiline101-77-9 1,3-Bis(4′-pyridyl)propane17252-51-6 3,4'-Diaminodiphenylmethane19430-83-2 3,3'-Diaminodiphenylmethane19471-12-6 1-Phenyl-1-(phenylmethyl)hydrazine614-31-3

Elsewhere

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