6-(tert-Butyl)-3,4-dihydro-2H-1,4-benzoxazine - CAS 937681-62-4

Catalog:	BB041074
Product Name:	6-(tert-Butyl)-3,4-dihydro-2H-1,4-benzoxazine
CAS:	937681-62-4
Synonyms:	6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine; 6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine

Technical Data

Patents

Computed Properties

IUPAC Name:	6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine
Description:	6-(tert-Butyl)-3,4-dihydro-2H-1,4-benzoxazine (CAS# 937681-62-4 ) is a useful research chemical.
Molecular Weight:	191.27
Molecular Formula:	C12H17NO
Canonical SMILES:	CC(C)(C)C1=CC2=C(C=C1)OCCN2
InChI:	InChI=1S/C12H17NO/c1-12(2,3)9-4-5-11-10(8-9)13-6-7-14-11/h4-5,8,13H,6-7H2,1-3H3
InChI Key:	LUSRIPQNKKAVEW-UHFFFAOYSA-N
LogP:	2.92640

Publication Number	Title	Priority Date
EP-3828253-A1	Low greenhouse gas fuel compositions	20191129
US-2020392153-A1	Substituted eneoxindoles and uses thereof	20190523
US-2020331869-A1	Methods for Preparing Fuel Additives	20171227
US-2020332211-A1	Methods for Preparing Fuel Additives	20171227
WO-2019034582-A1	FUEL MIXING PROCESSES	20170814

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Complexity:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.131014166
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.131014166
Rotatable Bond Count:	1
Topological Polar Surface Area:	21.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3