(2S)-piperazine-2-carboxylic acid dihydrochloride
Grundinformationen
- CAS
158663-69-5- Standard-SMILES
Cl.Cl.O=C(O)[C@@H]1CNCCN1- InChIKey
WNSDZBQLMGKPQS-FHNDMYTFSA-N- Summenformel
- C5H12Cl2N2O2
- Durchschnittliche Molmasse
- 203,06 g/mol
- Monoisotopische Masse
- 202,027583
Namen und Bezeichner
- Bevorzugter Name
- (2S)-piperazine-2-carboxylic acid dihydrochloride
- IUPAC
- (2S)-piperazine-2-carboxylic acid;dihydrochloride
- Englischer Name
- (S)-Piperazine-2-carboxylic acid dihydrochloride
- Summenformel
- C5H12Cl2N2O2
- Molmasse
- 203.07
Namen und Synonyme
(2S)-piperazine-2-carboxylic acid dihydrochlorideRefChem:398726627-925-8158663-69-5(S)-Piperazine-2-carboxylic acid dihydrochloride(S)-2-Piperazinecarboxylic acid dihydrochlorideMFCD016321042-Piperazinecarboxylic acid, hydrochloride (1:2), (2S)-(2S)-piperazine-2-carboxylic acid;dihydrochloride(S)-(-)-PIPERAZINE-2-CARBOXYLIC ACID DIHYDROCHLORIDE(2S)-piperazine-1,4-diium-2-carboxylic acid;dichloride(S)-(-)-2-PIPERAZINECARBOXYLIC ACID DIHYDROCHLORIDE
Weitere Namen anzeigen
(S)-Piperazine-2-car(S)-Piperazine-2-carboxyl...(S)Piperazine-2-carboxylic acid HCl(S)-PIPERAZINE-2-CARBOXYLIC ACID 2HCL(2S)-2-Piperazinecarboxylic acid 2HCl(S)-(-)-2-Piperazinecarboxylicacid2HCl(S)-(-)-PIPERAZINE-2-CARBOXYLIC ACID DIHCL(2S)-(-)-2-Carboxypiperazine dihydrochloride(S)-piperazine-2-carboxylic acid hydrochloride
2-piperazinecarboxylic acid, dihydrochloride, (2s)-SCHEMBL780213DTXSID70370181WNSDZBQLMGKPQS-FHNDMYTFSA-NCS-B0619AKOS015845422AKOS015892669DS-0830
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 61,4 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 116
Physikochemische Eigenschaften
- Schmelzpunkt
- 280 °C · 280°C
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- solid
- Farbe
- White
- BRN
- 7312035 · 7312035
- InChI
- InChI=1/C5H10N2O2.2ClH/c8-5(9)4-3-6-1-2-7-4;;/h4,6-7H,1-3H2,(H,8,9);2*1H/t4-;;/s3
- InChIKey
- WNSDZBQLMGKPQS-FPXZQKKRNA-N
- SMILES
- N1CCNC[C@H]1C(O)=O.[H]Cl.[H]Cl |&1:5,r|
- CAS Datenbank
- 158663 · 158663-69-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- F
- 3-10
- wgk
- 3
- hs_code
- 2933599590
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemie und Industrie
Anwendungen
VerwendenPreparation of (S)-piperazine-2-carboxylic acid, (R)-piperazine-2-carboxylic acid, and (S)-piperidine-2-carboxylic acid by kinetic resolution of the corresponding racemic carboxamides with stereoselective amidases in whole bacterial cells.
Anbieter100 Anbieter
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