4-(5-Furan-2-yl-tetrazol-1-yl)-phenylamine
Basic information
- CAS
436089-34-8- Standard SMILES
Nc1ccc(-n2nnnc2-c2ccco2)cc1- InChIKey
QVODMKDZBXLLSB-UHFFFAOYSA-N- Molecular formula
- C11H9N5O
- Average molar mass
- 227.22 g/mol
- Monoisotopic mass
- 227.08070993
Names & identifiers
- Preferred name
- 4-(5-Furan-2-yl-tetrazol-1-yl)-phenylamine
- IUPAC
- 4-[5-(furan-2-yl)tetrazol-1-yl]aniline
- English name
- 4-(5-Furan-2-yl-tetrazol-1-yl)-phenylamine
- Molecular formula
- C11H9N5O
- Molecular weight
- 227.22
Names & synonyms
4-(5-Furan-2-yl-tetrazol-1-yl)-phenylamine436089-34-8MLS0000680984-[5-(furan-2-yl)tetrazol-1-yl]anilineSMR000001566Benzenamine, 4-[5-(2-furanyl)-1H-tetrazol-1-yl]-4-[5-(furan-2-yl)-1,2,3,4-tetrazol-1-yl]anilinecid_650882CHEMBL1567557BDBM55204DTXSID101252611HMS2382I14
Show more names
AKOS0007281684-[5-(2-furanyl)-1-tetrazolyl]aniline[4-[5-(2-furyl)tetrazol-1-yl]phenyl]amine4-[5-(Furan-2-yl)-1H-tetrazol-1-yl]aniline4-[5-(2-Furanyl)-1H-tetrazol-1-yl]benzenamineSR-01000330129SR-01000330129-1BRD-K27127395-001-08-1
Database identifiers
- CAS
436089-34-8- PubChem CID
- 650882
- DTXSID
DTXSID101252611- ChEMBL
CHEMBL1567557
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 460.2 · 460.2±51.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 2.87 · 2.87±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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