3-(1-Acetylpiperidin-4-yl)propanoic acid

HCID 9855751CAS 131417-49-7

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)N1CCC(CCC(=O)O)CC1
InChIKey: CBWPIRBWBJQAPM-UHFFFAOYSA-N
Molecular formula: C10H17NO3
Average molar mass: 199.25 g/mol

Names & identifiers

Preferred name: 3-(1-Acetylpiperidin-4-yl)propanoic acid
IUPAC: 3-(1-acetylpiperidin-4-yl)propanoic acid
English name: 3-(1-acetylpiperidin-4-yl)propanoic acid
Molecular formula: C10H17NO3
Molecular weight: 199.25

Names & synonyms

131417-49-73-(1-acetylpiperidin-4-yl)propanoic acidRefChem:489402899-556-23-(1-ACETYL-PIPERIDIN-4-YL)-PROPIONIC ACID4-Piperidinepropanoic acid, 1-acetyl-MFCD147061943-(1-acetyl-4-piperidyl)propanoic Acid3-(1-acetylpiperidin-4-yl)propanoicacidSCHEMBL3036073CBWPIRBWBJQAPM-UHFFFAOYSA-N1-acetyl-4-piperidinepropionic acid

Show more names

acetyl-4-Piperidinepropanoic acid1-acetyl-4-Piperidinepropanoic acid3-[1-(acetyl)-4-piperidinyl]propionic acid

GFA41749AKOS008153659SB42254AS-402593-(1-acetyl-4-piperidinyl)propanoic acid3-(1-acetyl-4-piperidinyl)propionic acid3-(1-acetylpiperidin-4-yl)propionic acidDB-062815

Database identifiers

CAS: 131417-49-7
PubChem CID: 9855751
EC Number: 899-556-2

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 219

Physicochemical properties

Boiling point: 397.5 · 397.5±15.0 °C(Predicted)
Density: 1.122 · 1.122±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 4.73 · 4.73±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 303 · H303-H320
Precautionary statements: 312 · P312-P264-P305+P351+P338-P337+P313

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.