1,2,3,4-tetrahydroacridin-9-amine hydrate hydrochloride

• ChemBase ID: 86577
• Molecular Formular: C13H17ClN2O
• Molecular Mass: 252.73988
• Monoisotopic Mass: 252.10294085
• SMILES: n1c2c(c(c3ccccc13)N)CCCC2.O.Cl
• Canonical SMILES: Nc1c2CCCCc2nc2c1cccc2.O.Cl
• InChI: InChI=1S/C13H14N2.ClH.H2O/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);1H;1H2
• InChIKey: PXGRMZYJAOQPNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydroacridin-9-amine hydrate hydrochloride
• IUPAC Traditional name: tacrine hydrate hydrochloride
• Synonyms: THA hydrochloride hydrate; Tacrine hydrochloride; Tetrahydroaminacrine hydrochloride hydrate; 1,2,3,4-Tetrahydroacridin-9-amine hydrochloride hydrate; Tacrine hydrochloride hydrate; 9-Amino-1,2,3,4-tetrahydroacridine hydrochloride hydrate; 9-Amino-1,2,3,4-tetrahydroacridine hydrochloride hydrate; THA 盐酸盐 水合物; 他克林盐酸盐; 单满吖啶氨 盐酸盐 水合物; 9-氨基-1,2,3,4-四氢吖啶 盐酸盐 水合物

Database IDs

• CAS Number: 206658-92-6
• MDL Number: MFCD00150067
• PubChem SID: 162073693; 24891302; 24278139
• PubChem CID: 6420002

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.83008754
• LogD (pH = 7.4): 1.254769
• Log P: 2.6281447
• Molar Refractivity: 61.7381 cm^3
• Polarizability: 24.629675 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble
• Melting Point: 284-286 °C(lit.); 284-286°C

Safety Information

• Storage Warning: Toxic/Carcinogenic/Harmful
• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 23/24/25-36/37/38-40
• Safety Statements: 22-24/25-26-36/37/39
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H315-H319-H331-H335-H351
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P311
• RID/ADR: UN 2811 6.1/PG 3

Pharmacology Properties

• Gene Information: human ... ACHE(43)

Product Information

• Purity: ≥99%
• Empirical Formula (Hill Notation): C13H14N2 · HCl · xH2O

DETAILS

Apollo Scientific Ltd - OR2970T

A potent, centrally acting anticholinesterase. THA also blocks potassium channels in the CNS, resulting in an increased release of acetylcholine & presynaptic action.

Sigma Aldrich - A3773

包装
1, 5, 10 g in glass bottle

Sigma Aldrich - A79922

Packaging
1, 5 g in glass bottle