6-Amino-2-benzoxazolinone - CAS 22876-17-1

Catalog:	BB017786
Product Name:	6-Amino-2-benzoxazolinone
CAS:	22876-17-1
Synonyms:	6-amino-3H-1,3-benzoxazol-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-amino-3H-1,3-benzoxazol-2-one
Description:	6-Amino-2-benzoxazolinone (CAS# 22876-17-1) is a useful research chemical for organic synthesis and other chemical and pharmaceutical processes.
Molecular Weight:	150.13
Molecular Formula:	C7H6N2O2
Canonical SMILES:	C1=CC2=C(C=C1N)OC(=O)N2
InChI:	InChI=1S/C7H6N2O2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,8H2,(H,9,10)
InChI Key:	STLPJYGZOIEDAJ-UHFFFAOYSA-N
Boiling Point:	299 °C at 760 mmHg
Purity:	95 %
Density:	1.323 g/cm³
MDL:	MFCD00463899
LogP:	1.28450

Publication Number	Title	Priority Date
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
KR-20200076655-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
WO-2021026451-A1	Compounds and method for treating cytokine release syndrome	20190808
WO-2020130214-A1	Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof	20181219
KR-20200076808-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20181219

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Related Functional Groups

Amines and Anilines

[556-90-1]
Pseudothiohydantoin
[1106917-71-8]
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[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde

Oxazolines/Oxazolidines

[25664-78-2]
5-Ethyl-2-oxazolidinone
[19836-78-3]
3-Methyl-2-oxazolidinone
[196404-55-4]
3-tert-Butoxycarbony-2-(4-anisyl)-4-phenyl-5-oxazolidinecarboxylic acid
[158822-84-5]
6-Benzyloxy-2-benzoxazolinone
[15646-46-5]
Oxazolone
[59719-53-8]
16-Doxyl-stearic acid methyl ester

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.042927438
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	150.042927438
Rotatable Bond Count:	0
Topological Polar Surface Area:	64.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5