quinoxalin-6-amine

HCID 237859CAS 6298-37-9

Completing data — usually done within a minute

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc2nccnc2c1
InChIKey: MSGRFBKVMUKEGZ-UHFFFAOYSA-N
Molecular formula: C8H7N3
Average molar mass: 145.165 g/mol
Monoisotopic mass: 145.06399722

Names & identifiers

Preferred name: quinoxalin-6-amine
IUPAC: Quinoxalin-6-amine
English name: 6-Aminoquinoxaline
Molecular formula: C8H7N3
Molecular weight: 145.16

Names & synonyms

quinoxalin-6-amine6-aminooxoline6-AminoquinoxaL6-QUINOXALINAMINE6-AMINOQUINOXALINE6-Quinoxalineamine6-aminoquinazalineQuinoxaline-6-amine6-QUINOXALINYLAMINEQUINOXALIN-6-YLAMINE

Database identifiers

CAS: 6298-37-9
PubChem CID: 237859
DTXSID: DTXSID40285430
ChEMBL: CHEMBL3353658
ChEBI: CHEBI:195096
UNII: 63DFT3JVT4
EC Number: 662-890-2
Nikkaji: J81.182C

Properties

Physicochemical properties

Melting point: 159 °C · 159 °C
Boiling point: 254.27 °C · 254.27°C (rough estimate)
Density: 1.2109 · 1.2109 (rough estimate)
refractive index: 1.54 · 1.5400 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 2.57 · 2.57±0.30(Predicted)
color: Yellow to Dark Yellow
InChI: InChI=1S/C8H7N3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,9H2
InChIKey: MSGRFBKVMUKEGZ-UHFFFAOYSA-N
SMILES: N1C2C(=CC(N)=CC=2)N=CC=1
CAS DataBase Reference: 6298 · 6298-37-9(CAS DataBase Reference)
FDA UNII: 63 DFT3JVT4 · 63DFT3JVT4
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 264 · P264-P270-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-36/38-22
Safety Statements: 24 · 24/25-36/39-26
WGK Germany: 1 · 1
HazardClass: IRRITANT
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2