5-Aminoquinoxaline

HCID 85494CAS 16566-20-4

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1cccc2nccnc12
InChIKey: SAAYZFAHJFPOHZ-UHFFFAOYSA-N
Molecular formula: C8H7N3
Average molar mass: 145.16 g/mol
Monoisotopic mass: 145.06399722

Names & identifiers

Preferred name: 5-Aminoquinoxaline
IUPAC: quinoxalin-5-amine
English name: Quinoxalin-5-amine
Molecular formula: C8H7N3
Molecular weight: 145.16

Names & synonyms

5-Aminoquinoxaline5-QuinoxalinamineRefChem:532467691-821-9quinoxalin-5-amine16566-20-4Quinoxaline, 5-amino-5-QuinoxalinylamineMFCD016849735-Amino-quinoxalineBRN 0119350quinoxaline-5-ylamine

Show more names

5-amino-quinoxalinQuinoxalin-5-amine, 5-Amino-1,4-benzodiazine

5-25-11-00128 (Beilstein Handbook Reference)SCHEMBL825817SCHEMBL1353364SCHEMBL2011252CHEMBL5599111DTXSID90168002SAAYZFAHJFPOHZ-UHFFFAOYSA-NSBB052000

Database identifiers

CAS: 16566-20-4
PubChem CID: 85494
DTXSID: DTXSID90168002
ChEMBL: CHEMBL5599111
EC Number: 691-821-9
Nikkaji: J1.607.692I

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 137

Experimental & physicochemical properties

LogP1.29

Physicochemical properties

Melting point: 92 °C · 92 °C
Boiling point: 323.7 · 323.7±27.0 °C(Predicted)
Density: 1.292 · 1.292±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 2.57 · 2.57±0.30(Predicted)
Appearance: Yellow to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 261 · P261-P280-P305+P351+P338
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 30 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.