5-(2,4-Dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
Basic information
- CAS
19949-28-1- Standard SMILES
COc1ccc(-c2nnc(N)o2)c(OC)c1- InChIKey
FAEFPTFXTUIMTB-UHFFFAOYSA-N- Molecular formula
- C10H11N3O3
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.08004122
Names & identifiers
- Preferred name
- 5-(2,4-Dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
- IUPAC
- 5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
- English name
- 5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
- Molecular formula
- C10H11N3O3
- Molecular weight
- 221.21
Names & synonyms
5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine19949-28-1F2146-0069SCHEMBL22471881SCHEMBL29394057SMSSF-0017559AKOS000152469CCG-309956EN300-238545F4954655-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-ylamine1,3,4-Oxadiazol-2-amine, 5-(2,4-dimethoxyphenyl)-
Database identifiers
- CAS
19949-28-1- PubChem CID
- 20113974
- EC Number
- 194-478-9
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 176 · 176-177 °C
- Boiling point
- 417.5 · 417.5±55.0 °C(Predicted)
- Density
- 1.269 · 1.269±0.06 g/cm3(Predicted)
- pka
- -1.38 · -1.38±0.26(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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