2-Aminoquinoxaline

HCID 224573

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Basic information

CAS: 5424-05-5
Standard SMILES: Nc1cnc2ccccc2n1
InChIKey: YOWAEZWWQFSEJD-UHFFFAOYSA-N
Molecular formula: C8H7N3
Average molar mass: 145.16 g/mol
Monoisotopic mass: 145.06399722

Overview

structure in first source

Names & identifiers

Preferred name: 2-Aminoquinoxaline
IUPAC: quinoxalin-2-amine
English name: 2-AMINOQUINOXALINE
Molecular formula: C8H7N3
Molecular weight: 145.16

Names & synonyms

2-AminoquinoxalineRefChem:178341Quinoxalin-2-amine5424-05-52-amino-quinoxalineMFCD000940182-QuinoxalinamineQuinoxalin-2-ylamine2-AminequinoxalinNSC131552-Quinoxalinamine #quinoxalin-2-yl-amine

Show more names

NSC 44679NSC 131552-Aminoquinoxaline ,97%quinoxalin-2-amine - [Q86934]

quinoxaline, 2-amino-uPa_1SCHEMBL462847orb3029371SCHEMBL1851254SCHEMBL2167170SCHEMBL4843376SCHEMBL4848335

Database identifiers

CAS: 5424-05-5
PubChem CID: 224573
DTXSID: DTXSID00279557
ChEMBL: CHEMBL5092101
EC Number: 806-039-7
Nikkaji: J81.024J

Properties

Computed structural properties

XLogP: 1.5
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

Physicochemical properties

Melting point: 155 · 155-157℃
Boiling point: 297.6 · 297.6±20.0 °C(Predicted)
Density: 1.292 · 1.292
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: DMSO (Slightly), Methanol (Slightly)
pka: 3.7 · 3.70±0.28(Predicted)
form: Solid
color: Light Yellow
InChI: InChI=1S/C8H7N3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,11)
InChIKey: YOWAEZWWQFSEJD-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2)N=CC=1N
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Hazard Codes: Xn
Risk Statements: 22 · 22-36/38-20/21/22
Safety Statements: 26 · 26-36/37-15
HS Code: 29339900 · 29339900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 29339900
risk_code: 22-36/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36/37-15
Hazard statements: H302-H315-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501