2-(4-Methylpiperidin-1-yl)acetic acid
Basic information
- CAS
511237-54-0- Standard SMILES
CC1CCN(CC(=O)O)CC1- InChIKey
AVZSMACEWPTTTE-UHFFFAOYSA-N- Molecular formula
- C8H15NO2
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.11027872
Names & identifiers
- Preferred name
- 2-(4-Methylpiperidin-1-yl)acetic acid
- IUPAC
- 2-(4-methylpiperidin-1-yl)acetic acid
- English name
- 1-Piperidineaceticacid,4-methyl-(9CI)
- Molecular formula
- C8H15NO2
- Molecular weight
- 157.21
Names & synonyms
2-(4-methylpiperidin-1-yl)acetic acidRefChem:458171838-057-6511237-54-0(4-methylpiperidin-1-yl)acetic acid4-methyl-1-piperidineacetic acidMFCD03725036(4-Methyl-piperidin-1-yl)-acetic acid1-Piperidineaceticacid,4-methyl-(9CI)2-(4-methylpiperidyl)acetic acidBAS 05993001SCHEMBL835266
Show more names
ZINC042947491-Piperidineacetic acid, 4-methyl-2-(4-methyl-1-piperidinyl)acetic acid2-(4-methylpiperidin-1-ium-1-yl)acetate2-(4-methyl-1-piperidin-1-iumyl)acetate
SCHEMBL6215711DTXSID20390016HMS1681C20ALBB-000019BBL022222SBB010388STK5011922-(4-methyl-1-piperidyl)acetic acid
Database identifiers
- CAS
511237-54-0- PubChem CID
- 3153128
- DTXSID
DTXSID20390016- EC Number
- 838-057-6
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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, P317, 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 statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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