3-Chloroquinuclidine hydrochloride supplier

Name
3-CHLOROQUINUCLIDINE HYDROCHLORIDE
EINECS 251-586-1
CAS No. 33601-77-3
Density 1.15g/cm3
Solubility
Melting Point 236-239 °C(lit.)
Formula C₇H₁₂ClN^.HCl
Boiling Point 201.9 °C at 760 mmHg
Molecular Weight 182.093
Flash Point 75.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Azabicyclo[2.2.2]octane,3-chloro-, hydrochloride (9CI);Quinuclidine, 3-chloro-, hydrochloride(6CI,8CI);3-Chloroquinuclidine hydrochloride;3-Chloroquinuclidinium chloride;NSC 97099;
PSA 3.24000
LogP 2.05930

3-Chloroquinuclidine hydrochloride Specification

The 3-Chloroquinuclidine hydrochloride is an organic compound with the formula C₇H₁₂ClN^.HCl. The IUPAC name of this chemical is 3-chloro-1-azabicyclo[2.2.2]octane hydrochloride. With the CAS registry number 33601-77-3, it is also named as 1-Azabicyclo(2.2.2)octane, 3-chloro-, hydrochloride. The product's categories are QuinuclidinesHeterocyclic Building Blocks; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Quinuclidines. Besides, it should be stored in a cool, dry and airtight place.

Physical properties about 3-Chloroquinuclidine hydrochloride are: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): -1.65; (3)ACD/LogD (pH 7.4): -0.18; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 4.32; (8)#H bond acceptors: 1; (9)Polar Surface Area: 3.24 Å²; (10)Flash Point: 75.9 °C; (11)Enthalpy of Vaporization: 43.81 kJ/mol; (12)Boiling Point: 201.9 °C at 760 mmHg; (13)Vapour Pressure: 0.301 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC2C1CCN(CC1)C2.Cl
(2)InChI: InChI=1/C7H12ClN.ClH/c8-7-5-9-3-1-6(7)2-4-9;/h6-7H,1-5H2;1H
(3)InChIKey: OOMINTVSHDCDRK-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H12ClN.ClH/c8-7-5-9-3-1-6(7)2-4-9;/h6-7H,1-5H2;1H
(5)Std. InChIKey: OOMINTVSHDCDRK-UHFFFAOYSA-N

Product Name

3-CHLOROQUINUCLIDINE HYDROCHLORIDE

3-Chloroquinuclidine hydrochloride Specification

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