Basic information
- CAS
87675-30-7- Standard SMILES
CCOc1c(N)c(C)nn1C- InChIKey
AQADGRNQCJVRHW-UHFFFAOYSA-N- Molecular formula
- C7H13N3O
- Average molar mass
- 155.2 g/mol
- Monoisotopic mass
- 155.10586205
Names & identifiers
- Preferred name
- 5-Ethoxy-1,3-dimethyl-1H-pyrazol-4-amine
- IUPAC
- 5-ethoxy-1,3-dimethylpyrazol-4-amine
- English name
- 1H-Pyrazol-4-amine, 5-ethoxy-1,3-dimethyl-
- Molecular formula
- C7H13N3O
- Molecular weight
- 155.2
Names & synonyms
5-Ethoxy-1,3-dimethyl-1H-pyrazol-4-amine87675-30-7DTXSID606561635-ethoxy-1,3-dimethyl-pyrazol-4-amineCS-0457712EN300-12959645-ethoxy-1,3-dimethylpyrazol-4-amine1H-Pyrazol-4-amine, 5-ethoxy-1,3-dimethyl-
Database identifiers
- CAS
87675-30-7- PubChem CID
- 43554366
- DTXSID
DTXSID60656163
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 280.5 · 280.5±35.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 4.84 · 4.84±0.10(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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