2-(1-Methylpiperidin-4-yl)acetic acid
Basic information
- CAS
87647-06-1- Standard SMILES
CN1CCC(CC(=O)O)CC1- InChIKey
KPQGGKCBIODRRY-UHFFFAOYSA-N- Molecular formula
- C8H15NO2
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.11027872
Names & identifiers
- Preferred name
- 2-(1-Methylpiperidin-4-yl)acetic acid
- IUPAC
- 2-(1-methylpiperidin-4-yl)acetic acid
- English name
- 1-Methyl-4-piperidineacetic acid
- Molecular formula
- C8H15NO2
- Molecular weight
- 157.21
Names & synonyms
2-(1-methylpiperidin-4-yl)acetic acidRefChem:451177837-893-987647-06-1(1-methylpiperidin-4-yl)acetic acid1-Methyl-4-piperidineacetic acid4-PIPERIDINEACETIC ACID, 1-METHYL-2-(1-METHYL-4-PIPERIDYL)ACETIC ACIDMFCD09055305(1-Methyl-piperidin-4-yl)-acetic acid2-(1-METHYL-4-PIPERIDINYL)ACETIC ACID2-(1-Methylpiperidin-4-yl)aceticacid
Show more names
2-(1-Methylpiperidin-4-yl)1-Methyl-4-piperidineacet...N-methyl-4-piperidine acetic acid1-Methyl-4-piperidinyl acetic acid2-(1-methylpiperidin-4-yl)ethanoic acid
SCHEMBL805205SCHEMBL1243284SCHEMBL8863354DTXSID503302881-methyl-4-piperidinylacetic acidKPQGGKCBIODRRY-UHFFFAOYSA-NALBB-009570AKOS005172325
Database identifiers
- CAS
87647-06-1- PubChem CID
- 428619
- DTXSID
DTXSID50330288- EC Number
- 837-893-9
Properties
Computed structural properties
- XLogP
- -1.8
- 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
- Boiling point
- 269.9 · 269.9±13.0 °C(Predicted)
- Density
- 1.05 · 1.050±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.49 · 4.49±0.10(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
7 records
Compound notes
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