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

HCID 57732267

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Basic information

CAS: 1063734-19-9
Standard SMILES: CC(C)(C)OC(=O)N1CCOCC(CO)C1
InChIKey: SLJSFXUOECCLPA-UHFFFAOYSA-N
Molecular formula: C11H21NO4
Average molar mass: 231.29 g/mol
Monoisotopic mass: 231.14705815

Names & identifiers

Preferred name: Tert-butyl 6-(hydroxymethyl)-1,4-oxazepane-4-carboxylate
IUPAC: tert-butyl 6-(hydroxymethyl)-1,4-oxazepane-4-carboxylate
English name: tert-Butyl 6-(hydroxymethyl)-1,4-oxazepane-4-carboxylate
Molecular formula: C11H21NO4
Molecular weight: 231.29

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 59 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 237

Physicochemical properties

storage temp.: Store at room temperature
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501