2-(Piperidin-1-yl)acetic acid hydrochloride

HCID 201096

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Basic information

CAS: 3235-68-5
Standard SMILES: Cl.O=C(O)CN1CCCCC1
InChIKey: WKVJGLBBPPFCGD-UHFFFAOYSA-N
Molecular formula: C7H14ClNO2
Average molar mass: 179.64 g/mol
Monoisotopic mass: 179.07130637

Names & identifiers

Preferred name: 2-(Piperidin-1-yl)acetic acid hydrochloride
IUPAC: 2-piperidin-1-ylacetic acid;hydrochloride
English name: Piperidin-1-yl-acetic acid
Molecular formula: C7H13NO2
Molecular weight: 0

Names & synonyms

2-(piperidin-1-yl)acetic acid hydrochlorideRefChem:461849817-498-83235-68-5Piperidin-1-yl-acetic acid hydrochloride1-Piperidineacetic acid, hydrochloridePiperidinoacetic acid hydrochloride(Piperidin-1-yl)acetic acid hydrochlorideMFCD01701566Piperidin-1-ylacetic acid hydrochloride2-piperidin-1-ylacetic acid;hydrochlorideN-Carboxymethylpiperidine hydrochloride

Show more names

ALINDA 3031CBI-BB ZERO/006345VITAS-BB TBB0131722-(Piperidin-1-yl)TIMTEC-BB SBB014040OTAVA-BB 7118560479UKRORGSYN-BB BBV-1820212-(Piperidin-1-yl)acetic acid, HCl2-piperidinoacetic acid hydrochloride

2-(1-piperidyl)acetic acid;hydrochlorideMLS000715451SCHEMBL863867CHEMBL1546923DTXSID60186071WKVJGLBBPPFCGD-UHFFFAOYSA-NDAA235681-piperidineacetic acid hydrochloride

Database identifiers

CAS: 3235-68-5
PubChem CID: 201096
DTXSID: DTXSID60186071
ChEMBL: CHEMBL1546923
EC Number: 817-498-8

Properties

Computed structural properties

Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 119

Experimental & physicochemical properties

Solubility23.8 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 207 · 207-209 °C
storage temp.: Inert atmosphere,Room Temperature
EWG's Food Scores: 1 · 1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990
Toxicity: 2 gm/kg · mouse,LDLo,intraperitoneal,2gm/kg (2000mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE,Yakugaku Zasshi. Journal of Pharmacy. Vol. 99, Pg. 1155, 1979.

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933399990
Toxicity: mouse,LDLo,intraperitoneal,2gm/kg (2000mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE,Yakugaku Zasshi. Journal of Pharmacy. Vol. 99, Pg. 1155, 1979.
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338