2-(1H-imidazol-1-yl)aniline
Basic information
- CAS
26286-54-4- Standard SMILES
Nc1ccccc1-n1ccnc1- InChIKey
HVECTIQVQPUSEX-UHFFFAOYSA-N- Molecular formula
- C9H9N3
- Average molar mass
- 159.19 g/mol
- Monoisotopic mass
- 159.0796473
Names & identifiers
- Preferred name
- 2-(1H-imidazol-1-yl)aniline
- IUPAC
- 2-imidazol-1-ylaniline
- English name
- 2-Imidazol-1-yl-phenylamine
- Molecular formula
- C9H9N3
- Molecular weight
- 159.19
Names & synonyms
2-(1H-imidazol-1-yl)anilineDTXSID60313143RefChem:451396DTXCID60264267844-311-726286-54-42-Imidazol-1-yl-phenylamine2-imidazol-1-ylaniline2-(1-imidazolyl)anilineMFCD03274531Benzenamine, 2-(1H-imidazol-1-yl)-Oprea1_272525
Show more names
AKOS BB-8982AKOS B033134TIMTEC-BB SBB010414Imidazole, 1-(o-aminophenyl)- (8CI)2-(1H-imidazol-1-yl)aniline(SALTDATA: 1.3HCl)
Oprea1_611555CHEMBL4517738HMS1675O05STK3513902-imidazolylphenylamineEN300-31568AB01218162-03Z239137306
Database identifiers
- CAS
26286-54-4- PubChem CID
- 320166
- DTXSID
DTXSID60313143- ChEMBL
CHEMBL4517738- EC Number
- 844-311-7
- Nikkaji
- J1.621.055B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 106 °C · 106 °C
- Boiling point
- 348.5 · 348.5±25.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 5.63 · 5.63±0.10(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 315 · H315+H320-H373-H336-H227
- Precautionary statements
- 501 · P501-P260-P210-P271-P264-P280-P302+P352-P370+P378-P314-P337+P313-P305+P351+P338-P362+P364-P332+P313-P304+P340+P312-P403+P233-P403+P235-P405
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933299090 · 2933299090
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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
- 2933299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315+H320-H373-H336-H227
- Precautionary statements
- P501-P260-P210-P271-P264-P280-P302+P352-P370+P378-P314-P337+P313-P305+P351+P338-P362+P364-P332+P313-P304+P340+P312-P403+P233-P403+P235-P405
Chemistry & industry
Applications
Uses2-(1H-Imidazol-1-yl)aniline is a drug candidate that inhibit the D-loop activity of RAD51.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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