Basic information
- CAS
681482-53-1- Standard SMILES
Cl.O=C(O)C1CCN(Cc2ccccc2)CC1- InChIKey
TVVLCSICKUPMHY-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO2
- Average molar mass
- 255.74 g/mol
- Monoisotopic mass
- 255.1026065
Names & identifiers
- Preferred name
- 1-Benzylpiperidine-4-carboxylic acid hydrochloride
- IUPAC
- 1-benzylpiperidine-4-carboxylic acid;hydrochloride
- English name
- 1-Benzyl-piperidine-4-carboxylic acid hydrochloride
- Molecular formula
- C13H18ClNO2
- Molecular weight
- 255.74
Names & synonyms
1-benzylpiperidine-4-carboxylic acid hydrochlorideRefChem:430047102-850-9681482-53-11-benzyl-piperidine-4-carboxylic acid hydrochloride1-benzylpiperidine-4-carboxylic acid;hydrochlorideMFCD067999531-benzylpiperidine-4-carboxylic acid HClSCHEMBL2551741DTXSID60662986TVVLCSICKUPMHY-UHFFFAOYSA-NGCB48253
Show more names
1-(benzyl)piperidin-1-ium-4-carboxylate1-(phenylmethyl)piperidine-4-carboxylic acid1-(phenylmethyl)piperidin-1-ium-4-carboxylate1-(phenylmethyl)-4-piperidin-1-iumcarboxylateN-Benzyl-4-Piperidinecarboxylic acid hydrochloride
AKOS015847374SB43361BS-29443CS-0204946EN300-449211-benzylpiperidine-4-carboxylicacidhydrochloride1-benzylpiperidine-4-carboxylic acidhydrochlorideZ594038074
Database identifiers
- CAS
681482-53-1- PubChem CID
- 45075017
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海盛袖生物科技有限公司13761144602 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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