R-(-)-3-奎宁环基苯甲酸酯

Description

R-(-)-3-quinuclidinyl benzilate · CAS 6581-06-2 · C21H23NO3. UNII E69DLR7470. Melting Point: 164 °C; Vapor Density: 11.6 (Air = 1); Vapor Pressure: 0.0000000002 [mm Hg] @25 °C.

Identification

CAS Registry Number	6581-06-2
PubChem CID	23056
Molecular formula	C21H23NO3
IUPAC name	1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate
UNII (FDA)	E69DLR7470

Computed Descriptors

Molecular Weight	337.4
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	337.16779360
Monoisotopic Mass	337.16779360
Topological Polar Surface Area	49.8
Heavy Atom Count	25
Formal Charge	0

Physical & Chemical Properties

Melting Point	164 °C
Vapor Density	11.6 (Air = 1)
Vapor Pressure	0.0000000002 [mm Hg] @25 °C

Physical description & handling notes

• 3-quinuclidinyl benzilate appears as a chemical warfare incapacitating agent. Colorless liquid, odorless to fruity.
• Crystals; [Sax] Odorless and nonirritating; [USAMRICD, p. 141]
• White crystalline solid.
• Crystalline solid
• Vapors colorless
• Slight benzene smell

GHS Hazard Classification

Reported hazard statements	H300 (100%)

Documented Uses

• A High-affinity muscarinic antagonist commonly used as a tool in animal and tissue studies. [ChemIDplus]
• Hallucinogenic chemical warfare agent
• BZ itself, now called QNB in the scientific community, is widely used in pharmacology as a muscarinic receptor marker
• Atropine-like pharmacodynamic agent used to study drug-receptor interactions in intestinal smooth muscle
• QNB is an incapacitating agent and has been considered historically for use as a chemical warfare agent. A very potent drug, QNB causes confusion and hallucinations; it also affects circulation, digestion, salivation, sweating, and vision. Impairments caused by QNB are generally temporary and unlikely to be fatal; however, they can be severe if exposure is large enough.
• ... benzilate ester of 3-quinuclidnol formed through acetone-ether actions on parent compound

Synonyms

3-Quinuclidinyl benzilate; 6581-06-2; DTXSID00894168; NSC-173698; Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 1-azabicyclo(2.2.2)oct-3-yl ester; Benzilate, Quinuclidinyl; Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 1-azabicyclo[2.2.2]oct-3-yl ester; RO-2-3308; RefChem:872080; DTXCID701526727; E69DLR7470; Quinuclidinyl Benzilate; 3-Quinuclidyl benzilate; 3-quinuclidinyl-benzilate; [3H]QNB; 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate

Frequently Asked Questions

What are the CAS number and molecular formula of R-(-)-3-quinuclidinyl benzilate?

CAS 6581-06-2; molecular formula C21H23NO3; molecular weight — g/mol.

What other names is R-(-)-3-quinuclidinyl benzilate known by?

3-Quinuclidinyl benzilate, 6581-06-2, DTXSID00894168, NSC-173698, Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 1-azabicyclo(2.2.2)oct-3-yl ester, Benzilate, Quinuclidinyl.

Is R-(-)-3-quinuclidinyl benzilate classified as hazardous?

Hazard statements reported: H300.

What are the key physical properties of R-(-)-3-quinuclidinyl benzilate?

Melting Point: 164 °C; Vapor Density: 11.6 (Air = 1); Vapor Pressure: 0.0000000002 [mm Hg] @25 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.