4-N-Boc-2-hydroxymethylpiperazine

HCID 22386508

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 301673-16-5
Standard-SMILES: CC(C)(C)OC(=O)N1CCNC(CO)C1
InChIKey: NSILYQWHARROMG-UHFFFAOYSA-N
Summenformel: C10H20N2O3
Durchschnittliche Molmasse: 216,28 g/mol
Monoisotopische Masse: 216,1473925

Namen und Bezeichner

Bevorzugter Name: 4-N-Boc-2-hydroxymethylpiperazine
IUPAC: tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate
Englischer Name: 1-Boc-3-hydroxymethyl-piperazine
Summenformel: C10H20N2O3
Molmasse: 216.28

Namen und Synonyme

4-N-Boc-2-hydroxymethylpiperazineRefChem:525811676-048-7301673-16-5tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate1-boc-3-hydroxymethylpiperazine1-Boc-3-hydroxymethyl-piperazine1-boc-3-(hydroxymethyl)piperazine1-Boc-(3-Hydroxymethyl)piperazineMFCD041153041-N-Boc-3-Hydroxymethypiperazine3-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester

Weitere Namen anzeigen

4-N-Bo1-BOC-3-hydroxymethypiperazineN-BOC-3-HYDROXYMETHYLPIPERAZINE1-N-BOC-3-HYDROXYMETHYLPIPERAZINE1-N-Boc-3-hydroxymethylpiperazine 98%4-N-BOC-2-HYDROXYMETHYLPIPERAZINE -HCl

1-(tert-Butoxycarbonyl)-3-(hydroxymethyl)piperazineAB91508AC-2378PB15813AS-18877SY0087013-HYDROXYmethylpipERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER4-Boc-2-hydroxymethyl-piperazine

Datenbank-Bezeichner

CAS: 301673-16-5
PubChem CID: 22386508
DTXSID: DTXSID00625338
EC Number: 676-048-7

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

Schmelzpunkt: 93 to · 93.0 to 97.0 °C
Siedepunkt: 322.9 · 322.9±22.0 °C(Predicted)
Dichte: 1.085 · 1.085±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 14.97 · 14.97±0.10(Predicted)
Farbe: White to Almost white
CAS Datenbank: 301673 · 301673-16-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2939800000
risk_code: 36/37/38
safety_code: 26-36/37/39

Chemie und Industrie

Anwendungen

Verwenden1-Boc-3-Hydroxymethylpiperazine is an organic compound commonly used as an organic synthesis intermediate and pharmaceutical intermediate.