Basic information
- CAS
80381-21-1- Standard SMILES
CCC(C(=O)OC1C[NH+]2CCC1CC2)c1ccccc1.[Cl-]- InChIKey
QLDOORIMSHRBPP-UHFFFAOYSA-N- Molecular formula
- C17H24ClNO2
- Average molar mass
- 309.8 g/mol
- Monoisotopic mass
- 309.1495567
Names & identifiers
- Preferred name
- Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride
- IUPAC
- 1-azoniabicyclo[2.2.2]octan-3-yl 2-phenylbutanoate chloride
- English name
- 2-Phenylbutyric acid 3-quinuclidinyl ester hydrochloride
- Molecular weight
- 0
Names & synonyms
2-Phenylbutyric acid 3-quinuclidinyl ester hydrochloride80381-21-1BUTYRIC ACID, 2-PHENYL-, 3-QUINUCLIDINYL ESTER, MONOHYDROCHLORIDERefChem:3312721-AZABICYCLO(2.2.2)OCT-3-YL 2-PHENYLBUTANOATE HYDROCHLORIDE
Database identifiers
- CAS
80381-21-1- PubChem CID
- 54563
- EC Number
- 144-037-1
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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