Quinuclidine-3-carboxylic acid

HCID 2832202CAS 75208-40-1
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)C1CN2CCC1CC2
InChIKey
PUIHXLMMFNAYNW-UHFFFAOYSA-N
Molecular formula
C8H13NO2
Average molar mass
155.19 g/mol
Monoisotopic mass
155.09462866

Names & identifiers

Preferred name
Quinuclidine-3-carboxylic acid
IUPAC
1-azabicyclo[2.2.2]octane-3-carboxylic acid

Names & synonyms

Quinuclidine-3-carboxylic acidEINECS 278-125-7RefChem:872079278-125-775208-40-11-Azabicyclo[2.2.2]octane-3-carboxylic acid1-Aza-bicyclo[2.2.2]octane-3-carboxylic acid1-Azabicyclo[2.2.2]octane-3-carboxylicacid3-quinuclidinecarboxylic acidMFCD06797960MLS000105713Oprea1_032741
Show more names
Oprea1_289072SDCCGMLS-0015124.P0021-Azabicyclo(2.2.2)octane-3-carboxylic acidBAS 03662578regid7976258Cambridge id 5181742Quinuclidine-3-carboxylicacidSCHEMBL1617171

Database identifiers

CAS
75208-40-1
PubChem CID
2832202
DTXSID
DTXSID40996670
ChEMBL
CHEMBL1480365
EC Number
278-125-7
Nikkaji
J307.536B

Properties

Computed structural properties

XLogP
-2
Topological polar surface area
40.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Related reactions

12 records
New reaction record

Linked notes

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