2-Amino-1-(4-aminophenyl)-1H-pyrrolo(2,3-b)quinoxaline-3-carbonitrile
Basic information
- CAS
301358-46-3- Standard SMILES
N#Cc1c(N)n(-c2ccc(N)cc2)c2nc3ccccc3nc12- InChIKey
UPPPLIFDTZWWPA-UHFFFAOYSA-N- Molecular formula
- C17H12N6
- Average molar mass
- 300.32 g/mol
- Monoisotopic mass
- 300.11234441
Names & identifiers
- Preferred name
- 2-Amino-1-(4-aminophenyl)-1H-pyrrolo(2,3-b)quinoxaline-3-carbonitrile
- IUPAC
- 2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
- English name
- 1-AMINO-1-(4-AMINOPHENYL)-1H-PYRROLO(2
- Molecular formula
- C17H12N6
- Molecular weight
- 300.32
Names & synonyms
301358-46-32-Amino-1-(4-aminophenyl)-1H-pyrrolo(2,3-b)quinoxaline-3-carbonitrileDTXSID703587072-AMINO-1-(4-AMINOPHENYL)-1H-PYRROLO[2,3-B]QUINOXALINE-3-CARBONITRILERefChem:255205DTXCID00309762622-439-22-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrileOprea1_182694MLS000767750CHEMBL1882655HMS2806F19
Show more names
1-AMINO-1-(4-AMINOPHENYL)-1H-PYRROLO(21-amino-1-(4-aminophenyl)-1h-pyrrolo[2,3-b]quinoxaline-3-carbonitrile1H-Pyrrolo[2,3-b]quinoxaline-3-carbonitrile, 2-amino-1-(4-aminophenyl)-2-Amino-1-(4-aminophenyl)-1H-pyrrolo(2,3-b)quinoxaline-3-carbonitrile 97%
AKOS001023559SMR000430080Z567742002-Amino-1-(4-amino-phenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile
Database identifiers
- CAS
301358-46-3- PubChem CID
- 911015
- DTXSID
DTXSID70358707- ChEMBL
CHEMBL1882655- EC Number
- 622-439-2
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 479
Experimental & physicochemical properties
Solubility1.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- Boiling point
- 532.8 · 532.8±50.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 1.81 · 1.81±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/39
- WGK Germany
- 3 · 3
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
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 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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