Basic information
- CAS
718632-61-2- Standard SMILES
CN1CCC(Oc2ccc(C(=O)O)cc2)CC1.Cl- InChIKey
MDDOCCNDVQLAER-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO3
- Average molar mass
- 271.74 g/mol
- Monoisotopic mass
- 271.0975211
Names & identifiers
- Preferred name
- 4-((1-Methylpiperidin-4-yl)oxy)benzoic acid hydrochloride
- IUPAC
- 4-(1-methylpiperidin-4-yl)oxybenzoic acid;hydrochloride
Names & synonyms
718632-61-24-[(1-methylpiperidin-4-yl)oxy]benzoic acid hydrochloride4-((1-Methylpiperidin-4-yl)oxy)benzoic acid hydrochlorideRefChem:508799858-578-24-(1-methyl-piperidin-4-yloxy)-benzoic acid ,hydro-chloride4-(1-methylpiperidin-4-yl)oxybenzoic acid;hydrochloride4-(1-Methyl-piperidin-4-yloxy)-benzoic acid,hydro-chlorideMFCD19313129TDB63261AKOS015948627DB-094380
Show more names
CS-0236308EN300-17027624-[(1-methyl-4-piperidyl)oxy]benzoic acid;hydrochloride4-(1-methyl-piperidin-4-yloxy)-benzoicacid,hydro-chloride
Database identifiers
- CAS
718632-61-2- PubChem CID
- 56832385
- EC Number
- 858-578-2
Properties
Computed structural properties
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 253
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
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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