Tert-butyl 6-(hydroxymethyl)-1,4-oxazepane-4-carboxylate

HCID 57732267

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Grundinformationen

CAS: 1063734-19-9
Standard-SMILES: CC(C)(C)OC(=O)N1CCOCC(CO)C1
InChIKey: SLJSFXUOECCLPA-UHFFFAOYSA-N
Summenformel: C11H21NO4
Durchschnittliche Molmasse: 231,29 g/mol
Monoisotopische Masse: 231,14705815

Namen und Bezeichner

Bevorzugter Name: Tert-butyl 6-(hydroxymethyl)-1,4-oxazepane-4-carboxylate
IUPAC: tert-butyl 6-(hydroxymethyl)-1,4-oxazepane-4-carboxylate
Englischer Name: tert-Butyl 6-(hydroxymethyl)-1,4-oxazepane-4-carboxylate
Summenformel: C11H21NO4
Molmasse: 231.29

Namen und Synonyme

TERT-BUTYL 6-(HYDROXYMETHYL)-1,4-OXAZEPANE-4-CARBOXYLATE1063734-19-9RefChem:894319825-624-8MFCD22573923SCHEMBL1441732AKOS0241555964-Boc-6-(hydroxymethyl)-1,4-oxazepaneAS-38347CS-0079319EN300-212967TERT-BUTYL6-(HYDROXYMETHYL)-1,4-OXAZEPANE-4-CARBOXYLATE

Weitere Namen anzeigen

tert-butyl 6-(hydroxymethyl)-1,4-oxazepane-4-carboxylate - [B81246]1,4-Oxazepine-4(5H)-carboxylic acid, tetrahydro-6-(hydroxymethyl)-, 1,1-dimethylethyl ester

CHEMBL4528045HKP0316NSB73419SY2016SY201652DB-335752F303701

Datenbank-Bezeichner

CAS: 1063734-19-9
PubChem CID: 57732267
ChEMBL: CHEMBL4528045
EC Number: 825-624-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 59 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 237

Physikochemische Eigenschaften

storage temp.: Store at room temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.