tert-butyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylate

HCID 24820294CAS 314741-40-7

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Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)N1CCN[C@H](CO)C1
InChIKey: NSILYQWHARROMG-QMMMGPOBSA-N
Summenformel: C10H20N2O3
Durchschnittliche Molmasse: 216,28 g/mol
Monoisotopische Masse: 216,1473925

Namen und Bezeichner

Bevorzugter Name: tert-butyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylate
IUPAC: tert-butyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylate
Englischer Name: (S)-1-Boc-3-hydroxymethyl-piperazine
Summenformel: C10H20N2O3
Molmasse: 216.28

Namen und Synonyme

314741-40-7tert-butyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylateDTXSID606474751,1-dimethylethyl (3S)-3-(hydroxymethyl)-1-piperazinecarboxylateRefChem:891853DTXCID10598226965-593-9(s)-tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate(S)-1-Boc-3-hydroxymethyl-piperazine(S)-4-N-Boc-2-Hydroxymethyl-piperazine(S)-1-Boc-3-hydroxymethylpiperazine(s)-1-boc-3-(hydroxymethyl)piperazine

Weitere Namen anzeigen

H57160TL8002412(S)-4-N-Boc-2-hydroxyMeth...(3S)-3-(Hydroxymethyl)piperazine(S)-1-Boc-3-(hyroxyMethyl)piperazine(S)-4-Boc-2-(Hydroxymethyl)piperazine(3S)-1-Boc-3-(hydroxyMethyl)-piperazine

MFCD05863889(S)-4-N-BOC-2-hydroxymethylpiperazine(S)-3-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl esterSCHEMBL1462710tert-butyl (S)-3-(hydroxymethyl)piperazine-1-carboxylateNSILYQWHARROMG-QMMMGPOBSA-NCS-D0660AKOS005258470

Datenbank-Bezeichner

CAS: 314741-40-7
PubChem CID: 24820294
DTXSID: DTXSID60647475
EC Number: 965-593-9
Nikkaji: J2.542.300C

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: 322.9 · 322.9±22.0 °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)12-5-4-11-8(6-12)7-13/h8,11,13H,4-7H2,1-3H3/t8-/m0/s1
InChIKey: NSILYQWHARROMG-QMMMGPOBSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCN[C@H](CO)C1
CAS Datenbank: 314741 · 314741-40-7

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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2933599590

Chemie und Industrie

Anwendungen

Verwenden(S)-4-N-Boc-2-(hydroxymethyl)piperazine is a useful research chemical.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter50 Anbieter

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海策嵘生物科技有限公司[email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

上海凌凯科技股份有限公司58950110 13124863828 · [email protected]

Ergänzende Hinweise

Definition(S)-1-Boc-3-hydroxymethyl-piperazine is also known as (S)-4-N-Boc-2-(hydroxymethyl)piperazine or (S)-tert-Butyl 3-(hydroxymethyl)piperazine-1-carboxylate.