tert-Butyl 3-(2-hydroxyethyl)azetidine-1-carboxylate

HCID 22594530

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 152537-03-6
Standard SMILES: CC(C)(C)OC(=O)N1CC(CCO)C1
InChIKey: PIEFOIGZJZFQQJ-UHFFFAOYSA-N
Molecular formula: C10H19NO3
Average molar mass: 201.26 g/mol
Monoisotopic mass: 201.13649347

Names & identifiers

Preferred name: tert-Butyl 3-(2-hydroxyethyl)azetidine-1-carboxylate
IUPAC: tert-butyl 3-(2-hydroxyethyl)azetidine-1-carboxylate
English name: TERT-BUTYL 3-(2-HYDROXYETHYL)AZETIDINE-1-CARBOXYLATE
Molecular formula: C10H19NO3
Molecular weight: 201.26

Names & synonyms

152537-03-6TERT-BUTYL 3-(2-HYDROXYETHYL)AZETIDINE-1-CARBOXYLATEDTXSID10626710RefChem:188188DTXCID40577463812-604-9MFCD106992801-BOC-3-(2-HYDROXYETHYL)AZETIDINE1-BOC-3-(HYDROXYETHYL)AZETIDINE3-(2-HYDROXY-ETHYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERSCHEMBL12771821-AZETIDINECARBOXYLIC ACID, 3-(2-HYDROXYETHYL)-, 1,1-DIMETHYLETHYL ESTER

Show more names

1-Boc-3-(hydroxyethyl)aze...N-Boc-2-(azetidin-3-yl)ethanol(2E)-3-(5-methyl-13-furyl)acrylic acidtert-butyl 3-(2-hydroxyethyl)azetidine-1-carboxyl3-(2-hydroxyethyl)-1-azetidinecarboxylic acid tert-butyl estertert-Butyl 3-(2-hydroxyethyl)azetidine-1-carboxylate - [B0298]1-Azetidinecarboxylic acid, 3-(2-hydroxyethyl)-, 1,1-dimethy...

AKOS016008649AS-32887SY032526BCP21214FT-0684760orb31758353-(2-HYDRPB31502

Database identifiers

CAS: 152537-03-6
PubChem CID: 22594530
DTXSID: DTXSID10626710
EC Number: 812-604-9

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 204

Physicochemical properties

Boiling point: 287.4 · 287.4±13.0 °C(Predicted)
Density: 1.092 · 1.092±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 15.05 · 15.05±0.10(Predicted)
form: oil
color: Yellow
InChI: InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-8(7-11)4-5-12/h8,12H,4-7H2,1-3H3
InChIKey: PIEFOIGZJZFQQJ-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CC(CCO)C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 271 · P271-P261-P280
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.