Basic information
- CAS
90085-12-4- Standard SMILES
CN(C)c1ncnc2c1cnn2C- InChIKey
QWNBAYXVUGENHL-UHFFFAOYSA-N- Molecular formula
- C8H11N5
- Average molar mass
- 177.21 g/mol
- Monoisotopic mass
- 177.10144537
Names & identifiers
- Preferred name
- 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N,N,1-trimethyl-
- IUPAC
- N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
- English name
- 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N,N,1-trimethyl-
- Molecular formula
- C8H11N5
- Molecular weight
- 177.21
Names & synonyms
90085-12-4N,N,1-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N,N,1-trimethyl-N,N,1-trimethylpyrazolo[3,4-d]pyrimidin-4-amineNSC1453starbld0036901SCHEMBL13828285HMS1645B19NSC-14531H-Pyrazolo[3, N,N,1-trimethyl-AKOS0014370281H-Pyrazolo[3, 4-(dimethylamino)-1-methyl-
Show more names
pyrazolo[3,4-d]pyrimidine, 4-dimethylamino-1-methyl-Z57101192
Database identifiers
- CAS
90085-12-4- PubChem CID
- 219780
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 132 °C · 132 °C
- Boiling point
- 315.3 · 315.3±22.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 4.39 · 4.39±0.10(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
Chemistry & industry
Suppliers1 total
合肥钼凯医药科技有限公司18130062233 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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