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

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2-(Methylamino)benzonitrile
[42150-24-3]
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2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

Oxazolines/Oxazolidines

[1432-43-5]
3-Acetyl-2-oxazolidinone
[695-53-4]
5,5-Dimethyl-2,4-oxazolidinedione
[15646-46-5]
Oxazolone
[1120-64-5]
2-Methyl-2-oxazoline
[497-25-6]
2-Oxazolidinone
[670254-71-4]
5-Methyl 3-(2-methyl-2-propanyl) (4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate

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