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Quinuclidine hydrochloride

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Name

Quinuclidine hydrochloride

EINECS 254-682-1
CAS No. 39896-06-5 Density 0.97g/cm3
PSA 3.24000 LogP 1.84200
Solubility N/A Melting Point >300 °C(lit.)
Formula C7H13N.HCl Boiling Point 149.5 °C at 760 mmHg
Molecular Weight 147.648 Flash Point 36.5 °C
Transport Information UN 2811 6.1/PG 3 Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 39896-06-5 (QUINUCLIDINE HYDROCHLORIDE) Hazard Symbols N/A
Synonyms

1-Azabicyclo[2.2.2]octane,hydrochloride (9CI);Quinuclidinium chloride;

Article Data 2

Quinuclidine hydrochloride Specification

This chemical is called Quinuclidine hydrochloride, and its IUPAC name is 1-azabicyclo[2.2.2]octane hydrochloride. With the molecular formula of C7H13N.HCl, its molecular weight is 147.65. The CAS registry number of this chemical is 39896-06-5. In addition, this chemical should be stored sealed in the cool and dry plcace.

Other characteristics of the Quinuclidine hydrochloride can be summarised as followings: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.72; (4)ACD/LogD (pH 7.4): -1.57; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 36.5 °C; (14)Enthalpy of Vaporization: 38.64 kJ/mol; (15)Boiling Point: 149.5 °C at 760 mmHg; (16)Vapour Pressure: 4.01 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
1.SMILES: Cl.N12CCC(CC1)CC2
2.InChI: InChI=1/C7H13N.ClH/c1-4-8-5-2-7(1)3-6-8;/h7H,1-6H2;1H
3.InChIKey: BZLBBZLOMXKMTA-UHFFFAOYAU

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