Piperazine-2-carboxylic acid

HCID 2723758CAS 2762-32-5

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Grundinformationen

Standard-SMILES: O=C(O)C1CNCCN1
InChIKey: JSSXHAMIXJGYCS-UHFFFAOYSA-N
Summenformel: C5H10N2O2
Durchschnittliche Molmasse: 130,15 g/mol
Monoisotopische Masse: 130,07422756

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: Piperazine-2-carboxylic acid
IUPAC: piperazine-2-carboxylic acid
Englischer Name: Piperazine-2-carboxylic acid
Summenformel: C5H10N2O2
Molmasse: 130.15

Namen und Synonyme

Piperazine-2-carboxylic acid2762-32-5DTXSID70369095RefChem:929323DTXCID803201322-piperazinecarboxylic acidMFCD001328782-carboxypiperazine2-Piperazine carboxylic acidDS-1093STL183342AKOS005068016

Weitere Namen anzeigen

DS-1043PRZCA-2HCLTIMTEC-BB SBB0035182-Piperazinecarboxylpiperazine-2-carboxylicaci(±)-2-Piperazinecarboxylic acid(±)-Piperazine-2-carboxylic acid(^+)-Piperazine-2-carboxylic acid

CS-W002409SB11107SB40749PIPERAZINE-2-CARBOXYLICACID(+/-)-Piperazine-2-carboxylic acidSCHEMBL162294orb2945987SCHEMBL1387717

Datenbank-Bezeichner

CAS: 2762-32-5
PubChem CID: 2723758
DTXSID: DTXSID70369095
EC Number: 681-729-7
Nikkaji: J135.636D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -3,5
Polarare Oberfläche (TPSA): 61,4 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 116

Physikochemische Eigenschaften

Schmelzpunkt: 265 °C · 265 °C (dec.)(lit.)
Siedepunkt: 313.6 · 313.6±37.0 °C(Predicted)
Dichte: 1.174 · 1.174
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 1.9 · 1.90±0.20(Predicted)
InChI: InChI=1S/C5H10N2O2/c8-5(9)4-3-6-1-2-7-4/h4,6-7H,1-3H2,(H,8,9)
InChIKey: JSSXHAMIXJGYCS-UHFFFAOYSA-N
SMILES: N1CCNCC1C(O)=O
CAS Datenbank: 2762 · 2762-32-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Sicherheitsdaten

wgk: 3
hs_code: 2933599590
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenPiperazine-2-carboxylic acid is an important organic compound used as a basic structural component of pharmaceutical intermediates. Studies have shown that Piperazine-2-carboxylic acid derivatives are a potential multi-targeted ligands (MTDLs) anti-Alzheimer's disease (AD) active ingredient.