4-Aminobenzoxazole - CAS 163808-09-1

Catalog:	BB012038
Product Name:	4-Aminobenzoxazole
CAS:	163808-09-1
Synonyms:	1,3-benzoxazol-4-amine; 1,3-benzoxazol-4-amine

Technical Data

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Computed Properties

IUPAC Name:	1,3-benzoxazol-4-amine
Description:	4-Aminobenzoxazole (CAS# 163808-09-1) is a useful research chemical.
Molecular Weight:	134.14
Molecular Formula:	C7H6N2O
Canonical SMILES:	C1=CC(=C2C(=C1)OC=N2)N
InChI:	InChI=1S/C7H6N2O/c8-5-2-1-3-6-7(5)9-4-10-6/h1-4H,8H2
InChI Key:	DXNCTLORAFZVGQ-UHFFFAOYSA-N
Boiling Point:	282.296 °C at 760 mmHg
Density:	1.317 g/cm³
MDL:	MFCD00973373
LogP:	1.99120

Publication Number	Title	Priority Date
WO-2021153665-A1	Novel alkyne derivative	20200130
WO-2021147699-A1	Pyridoheterocyclic compound, and preparation method therefor and use thereof	20200121
CN-110105568-A	A method of utilizing aromatic nitration by-product production PBI functional material	20190425
US-2019119285-A1	Pyrazolopyrimidinone compounds and uses thereof	20170915
WO-2019055750-A1	PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF	20170915

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GHS Hazard Statement:	H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.048012819
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	134.048012819
Rotatable Bond Count:	0
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1