(R)-2-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester

HCID 24820219

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Grundinformationen

CAS: 169448-87-7
Standard-SMILES: CC(C)(C)OC(=O)N1CCNC[C@@H]1CO
InChIKey: BCPPNDHZUPIXJM-MRVPVSSYSA-N
Summenformel: C10H20N2O3
Durchschnittliche Molmasse: 216,28 g/mol
Monoisotopische Masse: 216,1473925

Namen und Bezeichner

Bevorzugter Name: (R)-2-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester
IUPAC: tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate
Englischer Name: (R)-1-N-Boc-2-(hydroxymethyl)piperazine
Summenformel: C10H20N2O3
Molmasse: 216.28

Namen und Synonyme

(R)-2-HYDROXYMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERRefChem:407225800-588-6169448-87-7(R)-1-Boc-2-Hydroxymethyl-piperazine(R)-1-Boc-2-Hydroxymethylpiperazine(R)-1-Boc-2-(Hydroxymethyl)piperazine(R)-tert-butyl 2-(hydroxymethyl)piperazine-1-carboxylatetert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylateMFCD07772092SCHEMBL1994122DTXSID60647450

Weitere Namen anzeigen

Nicotinamide Impurity 202(R)-1-Boc-2-(hyroxyMethyl)piperazine(R)-1-N-BOC-2-HYDROXYMETHYLPIPERAZINE HCl(S)-1-Boc-2-Hydroxymethyl-piperazine ,98%(R)-1-Boc-2-Hydroxymethyl-piperazine ,98%tert-Butyl (2R)-2-(hydroxymethyl)piperazin-1-carboxylate

tert-butyl (R)-2-(hydroxymethyl)piperazine-1-carboxylate(R)-1-N-BOC-2-HYDBCPPNDHZUPIXJM-MRVPVSSYSA-NCS-D0658(R)-N-Boc-2-hydroxymethyl-piperazineAKOS005258444AKOS015911913AC-1792

Datenbank-Bezeichner

CAS: 169448-87-7
PubChem CID: 24820219
DTXSID: DTXSID60647450
EC Number: 800-588-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,2
Polarare Oberfläche (TPSA): 61,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 225

Physikochemische Eigenschaften

Siedepunkt: 324 · 324.0±17.0 °C(Predicted)
Dichte: 1.085 · 1.085±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 14.97 · 14.97±0.10(Predicted)
InChI: InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-6-8(12)7-13/h8,11,13H,4-7H2,1-3H3/t8-/m1/s1
InChIKey: BCPPNDHZUPIXJM-MRVPVSSYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCNC[C@@H]1CO

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Sicherheitsdaten

hs_code: 2933599590

Chemie und Industrie

Anwendungen

Verwenden(R)-tert-Butyl 2-(hydroxymethyl)piperazine-1-carboxylate is used in preparation of novel substituted quinoline-8-carbonitrile derivatives with androgen receptor degradation activity and uses thereof.