Oxazolidine, 2,2,5-trimethyl-

HCID 95486CAS 52837-54-4

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Basic information

Standard SMILES: CC1CNC(C)(C)O1
InChIKey: XMPCGZCCOXWBKR-UHFFFAOYSA-N
Molecular formula: C6H13NO
Average molar mass: 115.17 g/mol
Monoisotopic mass: 115.09971404

Names & identifiers

Preferred name: Oxazolidine, 2,2,5-trimethyl-
IUPAC: 2,2,5-trimethyl-1,3-oxazolidine
English name: 2,2,5-Trimethyloxazolidine
Molecular formula: C6H13NO
Molecular weight: 115.17

Names & synonyms

2,2,5-Trimethyloxazolidine52837-54-42,2,5-Trimethyl-1,3-oxazolidineOxazolidine, 2,2,5-trimethyl-NSC 14515DTXSID50886018RefChem:168863DTXCID401025368NSC145152,5-TrimethyloxazolidineOxazolidine,2,5-trimethyl-2,2,5-trimethyl oxazolidine

Show more names

SCHEMBL21264542,5-Trimethyl-1,3-oxazolidineNSC-14515AKOS006349340DB-302045

Database identifiers

CAS: 52837-54-4
PubChem CID: 95486
DTXSID: DTXSID50886018
Nikkaji: J429.196D

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 90.5

Physicochemical properties

Boiling point: 133.3 · 133.3±23.0 °C(Predicted)
Density: 0.858 · 0.858±0.06 g/cm3(Predicted)
pka: 8.45 · 8.45±0.60(Predicted)
EPA Substance Registry System: 2 · Oxazolidine, 2,2,5-trimethyl- (52837-54-4)
TSCA: TSCA listed