Piperazin-1-yl-acetic acid

HCID 650402

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Basic information

CAS: 37478-58-3
Standard SMILES: O=C(O)CN1CCNCC1
InChIKey: WRJZKSHNBALIGH-UHFFFAOYSA-N
Molecular formula: C6H12N2O2
Average molar mass: 144.17 g/mol
Monoisotopic mass: 144.08987762

Names & identifiers

Preferred name: Piperazin-1-yl-acetic acid
IUPAC: 2-piperazin-1-ylacetic acid
English name: 2-(Piperazin-1-yl)-acetic acid H2O
Molecular formula: C6H12N2O2
Molecular weight: 144.17

Names & synonyms

37478-58-3Piperazin-1-yl-acetic acidDTXSID00349502RefChem:371687DTXCID003005722-(piperazin-1-yl)acetic acid2-piperazin-1-ylacetic acid1-Piperazineacetic acidN'-(carboxymethyl)-piperazine2-(piperazin-1-yl)-acetic acid h2o2-piperazinylacetic acidMFCD03119773

Show more names

AKOS BB-5495TIMTEC-BB SBB010118IFLAB-BB F1929-16811-Piperazineacetic acid 2HClpiperazinediium-1-yl acetate

piperazin-1-ylacetic acidF1929-16811-Piperazinylacetic acidpiperazineacetic acidBAS 03840570SMR000012619(1-piperazinyl)acetic acidpiperazin-1-yl acetic acid

Database identifiers

CAS: 37478-58-3
PubChem CID: 650402
DTXSID: DTXSID00349502
ChEMBL: CHEMBL1451367
EC Number: 671-465-0

Properties

Computed structural properties

XLogP: -3.1
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 121

Physicochemical properties

Melting point: 220 °C · >220°C
Boiling point: 292.6 · 292.6±25.0 °C(Predicted)
Density: 1.146 · 1.146±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 1.85 · 1.85±0.10(Predicted)
Appearance: White to off-white Solid
CAS DataBase Reference: 37478 · 37478-58-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 280 · P280
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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.