(3S)-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride

HCID 12494973CAS 119904-90-4

Substructure search Find similar structures

Basic information

Standard SMILES: Cl.Cl.N[C@@H]1CN2CCC1CC2
InChIKey: STZHBULOYDCZET-XCUBXKJBSA-N
Molecular formula: C7H16Cl2N2
Average molar mass: 199.12 g/mol
Monoisotopic mass: 198.06905387

Names & identifiers

Preferred name: (3S)-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride
IUPAC: (3S)-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride

Names & synonyms

(3S)-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride(3S)-1-azabicyclo(2.2.2)octan-3-amine dihydrochlorideRefChem:401195601-641-4119904-90-4(S)-3-Aminoquinuclidine dihydrochloride(S)-Quinuclidin-3-amine dihydrochloride(S)-(-)-3-Aminoquinuclidine dihydrochloride(S)-(-)-3-Aminoquinuclidine 2HClMFCD00191753(3S)-Aminoquinuclidine Dihydrochloride(3S)-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride

Show more names

(S)-Quinuclidin-3-amine (dihydrochloride)(3S)-1-Azabicyclo[2.2.2]octan-3-amine Dihydrochloride ((3S)-3-Aminoquinuclidine Dihydrochloride)(S)-3-AMINOQUINUCLIDINE 2HCL1-Azabicyclo[2.2.2]octan-3-amine, dihydrochloride, (3S)-S-(-)-3-Aminoquinuclidine dihydrochloride(S)-(-)-3-Amino-1-azabicyclo[2.2.2]octane DihydrochlorideSCHEMBL222751orb2939115

Database identifiers

CAS: 119904-90-4
PubChem CID: 12494973
DTXSID: DTXSID60500339
EC Number: 601-641-4

Properties

Computed structural properties

Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 105

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.