5-Amino-2,3-dihydro-1,3-benzoxazol-2-one

HCID 26856

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Basic information

CAS: 14733-77-8
Standard SMILES: Nc1ccc2oc(=O)[nH]c2c1
InChIKey: GJXXUHGUCBUXSL-UHFFFAOYSA-N
Molecular formula: C7H6N2O2
Average molar mass: 150.13 g/mol
Monoisotopic mass: 150.04292744

Names & identifiers

Preferred name: 5-Amino-2,3-dihydro-1,3-benzoxazol-2-one
IUPAC: 5-amino-3H-1,3-benzoxazol-2-one
English name: 2(3H)-Benzoxazolone,5-amino-(9CI)
Molecular formula: C7H6N2O2
Molecular weight: 150.13

Names & synonyms

5-amino-2,3-dihydro-1,3-benzoxazol-2-one5-Amino-2-benzoxazoloneRefChem:532074812-058-114733-77-85-Aminobenzo[d]oxazol-2(3H)-one2(3H)-Benzoxazolone, 5-amino-5-amino-1,3-benzoxazol-2(3H)-one5-amino-3H-1,3-benzoxazol-2-one5-AminobenzoxazoloneMFCD004748845-Amino-2-benzoxazolinone

Show more names

Nsc24965Wln: T56 bmvoj hz5-Aminobenzoxazol-2(3H)-one

2-BENZOXAZOLINONE, 5-AMINO-5-amino-2(3H)-benzoxazolone2(3H)-Benzoxazolone,5-amino-(9CI)5-Aminobenzoxazolin-2-one2(3H)-benzoxazolone, 5-amino-, hydrochloride5-amino-3-hydrobenzoxazol-2-oneNSC 24965BRN 0137913

Database identifiers

CAS: 14733-77-8
PubChem CID: 26856
DTXSID: DTXSID80163682
EC Number: 812-058-1
Nikkaji: J41.874I

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 64.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 183

Physicochemical properties

Melting point: 206 · 206-208 °C
Density: 1.438 · 1.438±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 9.07 · 9.07±0.70(Predicted)
Appearance: Light brown to gray Solid
EWG's Food Scores: 1 · 1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338