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| CAS No.: | 1619-34-7 |
|---|---|
| Name: | 3-Quinuclidinol |
| Article Data: | 54 |
| Molecular Structure: | |
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|
|
| Formula: | C7H13NO |
| Molecular Weight: | 127.186 |
| Synonyms: | 3-Quinuclidinol (6CI,7CI,8CI);1-Azabicyclo[2.2.2]oct-3-yl alcohol;3-Hydroxy-1-azabicyclo[2.2.2]octane;3-Hydroxyquinuclidine;NSC 93905;dl-3-Quinuclidinol; |
| EINECS: | 216-578-4 |
| Density: | 1.13 g/cm3 |
| Melting Point: | 220-223 °C(lit.) |
| Boiling Point: | 206.9 °C at 760 mmHg |
| Flash Point: | 97.7 °C |
| Solubility: | soluble in water |
| Appearance: | Crystalline solid |
| Hazard Symbols: |
 F,  C
|
| Risk Codes: | 34-11 |
| Safety: | 26-36/37/39-45-16 |
| Transport Information: | UN 3263 8/PG 2 |
| PSA: | 23.47000 |
| LogP: | 0.01080 |
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Chemistry
Product Name: 3-Quinuclidinol (CAS NO.1619-34-7)
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Molecular Formula: C7H13NO
Molecular Weight: 127.18g/mol
EINECS: 216-578-4
Melting Point: 220-223 °C(lit.)
Boiling point: 206.9 °C at 760 mmHg
Storage Temperature: 2-8°C
Flash Point: 97.7 °C
Density: 1.13 g/cm3
Index of Refraction: 1.549
Molar Refractivity: 35.73 cm3
Molar Volume: 112.2 cm3
Surface Tension: 44.8 dyne/cm
Enthalpy of Vaporization: 51.55 kJ/mol
Vapour Pressure: 0.0545 mmHg at 25°C
XLogP3-AA: 0.2
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of 3-Quinuclidinol (CAS NO.1619-34-7):
IUPAC Name: 1-azabicyclo[2.2.2]octan-8-ol
Canonical SMILES: C1CN2CCC1C(C2)O
InChI: InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2
InChIKey: IVLICPVPXWEGCA-UHFFFAOYSA-N
Product Categories: Pharmaceutical material and intermeidates; Quinuclidine derivatives; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals
Uses
3-Quinuclidinol (CAS NO.1619-34-7) is used as synthon for preparation of cholinergic receptor ligands and anesthetics.
Toxicity Data With Reference
| 1. | cyt-ham-ipr 10 mg/kg | ACNSAX Activitas Nervosa Superior. 17 (1975),253. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
Safety information of 3-Quinuclidinol (CAS NO.1619-34-7):
Hazard Codes .gif){kind=small}
C,.gif){kind=small}
F
Risk Statements
34 Causes burns
11 Highly Flammable
Safety Statements
26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39 Wear suitable protective clothing, gloves and eye/face protection
45 In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
16 Keep away from sources of ignition - No smoking
RIDADR UN 3263 8/PG 2
WGK Germany 3
RTECS VD6191700
F 34
Hazard Note Corrosive
HazardClass 8
PackingGroup III
Specification
3-Quinuclidinol , its CAS NO. is 1619-34-7, the synonyms are 3-Quinuclidinol dl-form ; Quinuclidinol ; 1-Azabicyclo(2.2.2)octan-3-ol Quinuclidin-3-ol ; 3-Hydroxyquinuclidine .