Melizame
Basic information
- CAS
26921-72-2- Standard SMILES
Oc1cccc(Oc2nn[nH]n2)c1- InChIKey
DZHBTQHPZSGDOR-UHFFFAOYSA-N- Molecular formula
- C7H6N4O2
- Average molar mass
- 178.15 g/mol
- Monoisotopic mass
- 178.04907545
Overview
Melizame is an aromatic ether.
Names & identifiers
- Preferred name
- Melizame
- IUPAC
- 3-(2H-tetrazol-5-yloxy)phenol
- English name
- Melizame
- Molecular formula
- C7H6N4O2
- Molecular weight
- 178.15
Names & synonyms
Melizame26921-72-2Melizamo3-(2H-tetrazol-5-yloxy)phenolMelizamMelizamumCompound 56063Melizame [USAN:INN]5-(m-Hydroxyphenoxy)-1H-tetrazoleCOMPOUND-56063m-(1H-Tetrazol-5-yloxy)phenol3-(1H-Tetrazol-5-yloxy)phenol
Show more names
Lilly-56063Phenol, 3-(2H-tetrazol-5-yloxy)-3-(2H-1,2,3,4-tetrazol-5-yloxy)phenol
Melizame (USAN/INN)Phenol, 3-(1H-tetrazol-5-yloxy)-292N180GYNUNII-292N180GYN3-(1H-1,2,3,4-tetrazol-5-yloxy)phenol5-(3-Hydroxyphenoxy)-1H-tetrazoleMELIZAME [USAN]3-hydroxyphenoxytetrazole
Database identifiers
- CAS
26921-72-2- PubChem CID
- 176153
- DTXSID
DTXSID40181423- ChEMBL
CHEMBL2106850- ChEBI
CHEBI:173821- UNII
- 292N180GYN
- Nikkaji
- J10.423J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
Experimental & physicochemical properties
Melting Point141 - 143 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 419.2 · 419.2±47.0 °C(Predicted)
- Density
- 1.529 · 1.529±0.06 g/cm3(Predicted)
- pka
- 3.79 · 3.79±0.10(Predicted)
- FDA UNII
- 292 N180GYN · 292N180GYN
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesSweetener.
Additional notes
DefinitionChEBI: Melizame is an aromatic ether.
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Compound notes
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