Piperidin-1-yl-acetic acid

HCID 201097CAS 3235-67-4

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)CN1CCCCC1
InChIKey: VRDBIJCCXDEZJN-UHFFFAOYSA-N
Molecular formula: C7H13NO2
Average molar mass: 143.18 g/mol
Monoisotopic mass: 143.09462866

Names & identifiers

Preferred name: Piperidin-1-yl-acetic acid
IUPAC: 2-piperidin-1-ylacetic acid
English name: Piperidin-1-yl-acetic acid
Molecular formula: C7H13NO2
Molecular weight: 143.18

Names & synonyms

3235-67-4Piperidin-1-yl-acetic acidDTXSID90276797RefChem:372780DTXCID702025141-Piperidineacetic Acid2-(Piperidin-1-Yl)Acetic Acid2-(1-piperidyl)acetic acidpiperidin-1-ylacetic acid478920-86-42-piperidin-1-ylacetic acid1-PIPERIDINYLACETIC ACID

Show more names

AKOS BBS-00000322IFLAB-BB F1981-0009CHEMBRDG-BB 4401702RARECHEM AL BO 03872-piperidinoacetic acidPiperidine-1-yl-acetic acid2-(1-piperidinyl)acetic acid

MFCD004610421-Piperidineacetic acid, labeled with deuteriumpiperidinoacetic acid1-PiperidineaceticAcidpiperidineacetic acidPiperidino-essigsaurepiperidine acetic acidpiperidine-acetic acid

Database identifiers

CAS: 3235-67-4
PubChem CID: 201097
DTXSID: DTXSID90276797
ChEMBL: CHEMBL1624513
EC Number: 675-512-6
Nikkaji: J1.553.349H

Properties

Computed structural properties

XLogP: -2.5
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 119

Physicochemical properties

Melting point: 214 · 214-216 °C(Solv: chloroform (67-66-3))
Boiling point: 252.2 · 252.2±23.0 °C(Predicted)
Density: 1.103 · 1.103±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 2.47 · 2.47±0.10(Predicted)
Appearance: White to off-white Solid
CAS DataBase Reference: 3235 · 3235-67-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H227
Precautionary statements: 501 · P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
Hazard Codes: Xi
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Dam. 1 (97.4%)

Safety data

risk_code: 41
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-39
hazard_class: IRRITANT
Hazard statements: H315-H319-H227
Precautionary statements: P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235