4-(1,1-Dimethylethyl) 1-(phenylmethyl) 2-(hydroxymethyl)-1,4-piperazinedicarboxylate
Grundinformationen
- CAS
317365-33-6- Standard-SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C(CO)C1- InChIKey
UINOMZOGOKYFHD-UHFFFAOYSA-N- Summenformel
- C18H26N2O5
- Durchschnittliche Molmasse
- 350,4 g/mol
- Monoisotopische Masse
- 350,18417193
Namen und Bezeichner
- Bevorzugter Name
- 4-(1,1-Dimethylethyl) 1-(phenylmethyl) 2-(hydroxymethyl)-1,4-piperazinedicarboxylate
- IUPAC
- 1-O-benzyl 4-O-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate
- Englischer Name
- 1-Benzyl 4-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate
- Summenformel
- C18H26N2O5
- Molmasse
- 350.41
Namen und Synonyme
317365-33-61-BENZYL 4-TERT-BUTYL 2-(HYDROXYMETHYL)PIPERAZINE-1,4-DICARBOXYLATEDTXSID9011290904-(1,1-Dimethylethyl) 1-(phenylmethyl) 2-(hydroxymethyl)-1,4-piperazinedicarboxylateRefChem:510059DTXCID30882391107-744-61-Benzyl 4-(tert-butyl) 2-(hydroxymethyl)piperazine-1,4-dicarboxylateMFCD118784651-O-benzyl 4-O-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate1-BENZYL 4-TERT-BUTYL 2-(HYDROXYMETHYL)-PIPERAZINE-1,4-DICARBOXYLATE(4-Boc-1-Cbz-2-piperazinyl)methanol
Weitere Namen anzeigen
4-Boc-1-Cbz-2-hydroxymethylpiperazine1-Benzyl 4-tert-Butyl 2-(Hydroxymethyl)piperazine-1,4-dicarb4-(tert-Butyl) 1-(benzyl) 2-(hydroxymethyl)-1,4-piperazinedicarboxylate
1,4-piperazinedicarboxylic acid, 2-(hydroxymethyl)-, 4-(1,1-dimethylethyl) 1-(phenylmethyl) esterSCHEMBL778980YQF4489UINOMZOGOKYFHD-UHFFFAOYSA-N(R)-2-HYDROXYMETHYL-PIPERAZINE-1,4-DICARBOXYLIC ACID 1-BENZYL ESTER 4-TERT-BUTYL ESTERALBB-037577SBB054850AKOS025116824
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 79,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 457
Physikochemische Eigenschaften
- Siedepunkt
- 480.5 · 480.5±30.0 °C(Predicted)
- Dichte
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 14.97 · 14.97±0.10(Predicted)
Sicherheit und Regulatorisches
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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemie und Industrie
Anbieter18 Anbieter
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
南通先行生物医药科技有限公司513-85982855 18921614129 · [email protected]
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
常州宣叶科技有限公司15195022192 · [email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
南京菲泓科技有限公司025-58855213 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
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