CAS No.6238-14-8,3-Aminoquinuclidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6238-14-8
Name:	3-Aminoquinuclidine
Article Data:	4

Formula:	C₇H₁₄N₂
Molecular Weight:	126.202
Synonyms:	1-Azabicyclo[2.2.2]octan-3-amine,(?à)-;Quinuclidine, 3-amino-(7CI,8CI);(RS)-3-Aminoquinuclidine;(?à)-3-Aminoquinuclidine;1-Azabicyclo[2.2.2]oct-3-ylamine;3-Amino-1-azabicyclo[2.2.2]octane;3-Aminoquinuclidine;Quinuclidin-3-amine;Quinuclidine-3-amine;
EINECS:	229-424-6
Density:	1.06 g/cm³
Melting Point:	218-220 °C
Boiling Point:	165.9 °C at 760 mmHg
Flash Point:	51.1 °C
PSA:	29.26000
LogP:	0.67750

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Specification

The 3-Aminoquinuclidine, with CAS registry number 6238-14-8, has the systematic name of 1-azabicyclo[2.2.2]octan-3-amine. And its IUPAC name is the same one. This chemical has related registry number of 6530-09-2 (di-hydrochloride). The chemical formula of this chemical is C₇H₁₄N_2.

Physical properties of 3-Aminoquinuclidine: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.88; (4)ACD/LogD (pH 7.4): -3.25; (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: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 37.82 cm³; (15)Molar Volume: 118.4 cm³; (16)Polarizability: 14.99×10^-24cm³; (17)Surface Tension: 42.9 dyne/cm; (18)Enthalpy of Vaporization: 40.24 kJ/mol; (19)Vapour Pressure: 1.83 mmHg at 25°C.

Uses of 3-Aminoquinuclidine: it can be used to produce C₇H₁₃N₂O₃S(1-)^.Na(1+). This reaction will need reagent chlorosulfonic acid and solvent CHCl₃. The reaction time is 2 hour(s). The yield is about 70%.

You can still convert the following datas into molecular structure:
(1)SMILES: NC2C1CCN(CC1)C2
(2)InChI: InChI=1/C7H14N2/c8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5,8H2
(3)InChIKey: REUAXQZIRFXQML-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H14N2/c8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5,8H2
(5)Std. InChIKey: REUAXQZIRFXQML-UHFFFAOYSA-N