Quinuclidine, 3-amino-, dihydrochloride
Completing data — refresh the page later to see the latest
Basic information
- CAS
6530-09-2- Standard SMILES
Cl.Cl.NC1CN2CCC1CC2- InChIKey
STZHBULOYDCZET-UHFFFAOYSA-N- Molecular formula
- C7H16Cl2N2
- Average molar mass
- 199.12 g/mol
- Monoisotopic mass
- 198.0690539
Names & identifiers
- Preferred name
- Quinuclidine, 3-amino-, dihydrochloride
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
- English name
- 3-Aminoquinuclidine dihydrochloride
- Molecular formula
- C7H16Cl2N2
- Molecular weight
- 199.12
Names & synonyms
Quinuclidine, 3-amino-, dihydrochlorideRefChem:10979383-Aminoquinuclidine 2HCl1-Aza-bicyclo[2.2.2]oct-3-ylamine dihydrochloridequinuclidin-3-amine dihydrochloridequinuclidin-3-amine;dihydrochlorideMFCD001373951-azabicyclo[2.2.2]octan-3-amine dihydrochloride3-Amino-1-azabicyclo[2.2.2]octane Dihydrochloride3aminoquinuclidine dihydrochloride(S)-(-)-3-Aminoquinuclidine dihydrochloride1-Azabicyclo[2.2.2]octan-3-amine, dihydrochloride
Show more names
3-Ami1-Azabicyclo[TIMTEC-BB SBB000378LABOTEST-BB LT000125853-Aminoquinuclidine2HCl3-Aminoquiuclidine diHCl3-Aminoquinuclidine DiHClquinuclidin-3-amine hydrochloride
(1s,4s)-quinuclidin-3-amine dihydrochloride1-Azabicyclo(2.2.2)octan-3-amine, dihydrochloridequinuclidine-3-ylamine, chloride, chlorideEINECS 229-424-6NSC 93906(3S)-QUINUCLIDIN-3-AMINE DIHYDROCHLORIDE(S)-(-)-3-Amino-1-azabicyclo[2.2.2]octane DihydrochlorideSCHEMBL222752
Database identifiers
- CAS
6530-09-2- PubChem CID
- 197853
- DTXSID
DTXSID401367572
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Melting point
- 321 · 321-323 °C (dec.)(lit.)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Methanol, Water
- form
- Powder
- color
- White to almost white
- optical activity
- -6.1 ° · -6.1° (C=0.98 g/100ml,H2O)
- InChI
- 1S/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H
- InChIKey
- STZHBULOYDCZET-UHFFFAOYSA-N
- SMILES
- Cl.Cl.NC1CN2CCC1CC2
- CAS DataBase Reference
- 6530 · 6530-09-2(CAS DataBase Reference)
- NIST Chemistry Reference
- 3 · Quinuclidine, 3-amino-, dihydrochloride, hydrate(6530-09-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- VD4590000
- hs_code
- 29333990
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332
- REACH Registrations
- Active
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
Chemistry & industry
Applications
UsesAn intermediate in the preparation of Azasetron.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
105 records
Compound notes
Loading…