Basic information
- CAS
100763-74-4- Standard SMILES
Cc1ccc(Oc2cc(Cl)nc(N)n2)cc1C- InChIKey
LHNFETCGLQFWPF-UHFFFAOYSA-N- Molecular formula
- C12H12ClN3O
- Average molar mass
- 249.69 g/mol
- Monoisotopic mass
- 249.0668897
Names & identifiers
- Preferred name
- 4-Chloro-6-(3,4-dimethylphenoxy)pyrimidin-2-amine
- IUPAC
- 4-chloro-6-(3,4-dimethylphenoxy)pyrimidin-2-amine
- English name
- 2-Pyrimidinamine, 4-chloro-6-(3,4-dimethylphenoxy)-
- Molecular formula
- C12H12ClN3O
- Molecular weight
- 249.7
Names & synonyms
100763-74-44-chloro-6-(3,4-dimethylphenoxy)pyrimidin-2-amine4-Chloro-6-(3,4-dimethylphenoxy)-2-pyrimidinamineWAY-2992096-chloro-4-(3,4-dimethylphenoxy)-1,2-dihydropyrimidin-2-imineOprea1_565089Oprea1_774009DTXSID501234805STK366501AKOS005443259AS-88661ST50938928
Show more names
2-Pyrimidinamine, 4-chloro-6-(3,4-dimethylphenoxy)-
SR-01000359119SR-01000359119-14-(3,4-dimethylphenoxy)-6-chloropyrimidine-2-ylamine
Database identifiers
- CAS
100763-74-4- PubChem CID
- 793965
- DTXSID
DTXSID501234805
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 434.7 · 434.7±55.0 °C(Predicted)
- Density
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- pka
- 1.47 · 1.47±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
Suppliers6 total
西安凯新生物科技有限公司029-68881181 13619217766 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
Aladdin Scientific[email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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