3-(2-Quinoxalinyl)aniline
Basic information
- CAS
432004-76-7- Standard SMILES
Nc1cccc(-c2cnc3ccccc3n2)c1- InChIKey
FTKCJWKPAZRHTL-UHFFFAOYSA-N- Molecular formula
- C14H11N3
- Average molar mass
- 221.26 g/mol
- Monoisotopic mass
- 221.09529736
Names & identifiers
- Preferred name
- 3-(2-Quinoxalinyl)aniline
- IUPAC
- 3-quinoxalin-2-ylaniline
- English name
- 3-(2-QUINOXALINYL)ANILINE
- Molecular formula
- C14H11N3
- Molecular weight
- 221.26
Names & synonyms
3-(2-quinoxalinyl)aniline432004-76-7DTXSID80355580RefChem:273940DTXCID503066403-(quinoxalin-2-yl)aniline3-quinoxalin-2-ylanilineMFCD027379213-quinoxalin-2-ylphenylamine3-Quinoxalin-2-yl-phenylamineChemDiv1_024407Cambridge id 6724158
Show more names
Benzenamine, 3-(2-quinoxalinyl)-
MLS0012127423-(2-quinoxalinyl)phenylamineSCHEMBL1464105(3-quinoxalin-2-ylphenyl)amineCHEMBL1452521HMS656F09FTKCJWKPAZRHTL-UHFFFAOYSA-NHMS2826K24
Database identifiers
- CAS
432004-76-7- PubChem CID
- 807264
- DTXSID
DTXSID80355580- ChEMBL
CHEMBL1452521- EC Number
- 110-313-5
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Experimental & physicochemical properties
Solubility>33.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 164 · 164-166°
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-41
- Safety Statements
- 26 · 26-39
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- risk_code
- 22-41
- hazard_code
- Xn
- safety_code
- 26-39
- hazard_class
- IRRITANT
Suppliers
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Related reactions
32 records
Compound notes
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