| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 9 | Yes |
Popular Name: 3-Aminoquinuclidine dihydrochloride 3-Aminoquinuclidine dihydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 119904-90-4 , 123536-14-1 , 137661-31-5 , 6238-14-8 , 6530-09-2 , 6530-9-2 , [119904-90-4] , [6530-09-2]
(3R)-Quinuclidin-3-amine dihydrochloride
(3S)-1-Azabicyclo[2.2.2]octan-3-amine dihydrochloride
(R)-(+)-3-AMINOQUINUCLIDINE DIHYDROCHLORIDE
(R)-(+)-3-Aminoquinuclidine dihydrochloride, 98%
(R)-3-Aminoquinuclidine dihydrochloride
(R)-Auinuclidin-3-amine hydrochloride
(R)-Quinuclidin-3-amine dihydrochloride
(S)-3-Aminoquinuclidine dihydrochloride
(S)-Quinuclidin-3-amine dihydrochloride
1-azabicyclo[2.2.2]octan-3-amine
1-Azabicyclo[2.2.2]octan-3-amine dihydrochloride
3-Aminoquinuclidine dihydrochloride, 98%
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.16 | 1.91 | -30.69 | 3 | 2 | 1 | 30 | 127.211 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.16 | -0.22 | -41.5 | 3 | 2 | 1 | 31 | 127.211 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.16 | 2.21 | -105.78 | 4 | 2 | 2 | 32 | 128.219 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 321 - 323 | Acros Organics |
| Purity | 97% | Fluorochem |
| Mp [°C] | >300 | Acros Organics |
| MP | >300° | Oakwood Chemical |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation | Acros Organics |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H302: Harmful if swallowed; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA7-2-E | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #2 Of 6), Eukaryotic | Eukaryotes | 6310 | 0.81 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA7_HUMAN | P36544 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Human | 6309.57344 | 0.81 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Highly calcium permeable postsynaptic nicotinic acetylcholine receptors |
