Basic information
- CAS
112197-87-2- Standard SMILES
Cl.O=C(O)C1(O)CCCN(Cc2ccccc2)C1- InChIKey
OXYAVWYHHFMODM-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO3
- Average molar mass
- 271.74 g/mol
- Monoisotopic mass
- 271.0975211
Names & identifiers
- Preferred name
- 1-Benzyl-3-hydroxypiperidine-3-carboxylic acid hydrochloride
- IUPAC
- 1-benzyl-3-hydroxypiperidine-3-carboxylic acid;hydrochloride
Names & synonyms
1-benzyl-3-hydroxypiperidine-3-carboxylic acid hydrochloride112197-87-2RefChem:429868821-614-21-benzyl-3-hydroxypiperidine-3-carboxylic acid;hydrochloride1-benzyl-3-hydroxy-piperidine-3-carboxylic acid;hydrochlorideMEA19787CS-0263538EN300-87956Z12592973561-benzyl-3-hydroxypiperidine-3-carboxylicacidhydrochloride
Database identifiers
- CAS
112197-87-2- PubChem CID
- 54595370
- EC Number
- 821-614-2
Properties
Computed structural properties
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
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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