2,2-Dimethyl-3,4-dihydro-2H-1,4-benzoxazine - CAS 866089-28-3

Catalog:	BB038003
Product Name:	2,2-Dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CAS:	866089-28-3
Synonyms:	2,2-dimethyl-3,4-dihydro-1,4-benzoxazine; 2,2-dimethyl-3,4-dihydro-1,4-benzoxazine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,2-dimethyl-3,4-dihydro-1,4-benzoxazine
Description:	2,2-Dimethyl-3,4-dihydro-2H-1,4-benzoxazine (CAS# 866089-28-3) is a useful research chemical.
Molecular Weight:	163.22
Molecular Formula:	C10H13NO
Canonical SMILES:	CC1(CNC2=CC=CC=C2O1)C
InChI:	InChI=1S/C10H13NO/c1-10(2)7-11-8-5-3-4-6-9(8)12-10/h3-6,11H,7H2,1-2H3
InChI Key:	WILBVUMFTFLAHJ-UHFFFAOYSA-N
LogP:	2.40750

Publication Number	Title	Priority Date
EP-3828253-A1	Low greenhouse gas fuel compositions	20191129
WO-2020260417-A1	Methods for preparing benzoxazines	20190626
WO-2020127385-A1	Methods for preparing compounds	20181219
WO-2020127390-A1	Methods for preparing compounds	20181219
US-2020331869-A1	Methods for Preparing Fuel Additives	20171227

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Related Functional Groups

Benzoxazines

[10128-55-9]
N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-2-naphthalenesulfonamide
[1365965-22-5]
2,2-Dimethyl-5-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
[1514263-64-9]
8-Chloro-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one
[939759-05-4]
8-Chloro-3,4-dihydro-2H-1,4-benzoxazine
[103361-99-5]
7-Fluoro-2H-1,4-benzoxazin-3(4H)-one
[441066-03-1]
1,3-Dihydro-1,3,3-trimethylspiro[2H-indole-2,3'-[3H]naphth[2,1-b][1,4]oxazine]-5-carboxylic acid

GHS Hazard Statement:	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]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.099714038
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.099714038
Rotatable Bond Count:	0
Topological Polar Surface Area:	21.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3