Basic information
- CAS
66501-16-4- Standard SMILES
Clc1cccc(Cl)c1Nc1ncccn1- InChIKey
RQHCTLPUMQYABP-UHFFFAOYSA-N- Molecular formula
- C10H7Cl2N3
- Average molar mass
- 240.09 g/mol
- Monoisotopic mass
- 239.0017026
Names & identifiers
- Preferred name
- 2-Pyrimidinamine, N-(2,6-dichlorophenyl)-
- IUPAC
- N-(2,6-dichlorophenyl)pyrimidin-2-amine
- English name
- 2-Pyrimidinamine, N-(2,6-dichlorophenyl)-
- Molecular formula
- C10H7Cl2N3
- Molecular weight
- 240.09
Names & synonyms
2-Pyrimidinamine, N-(2,6-dichlorophenyl)-66501-16-4N-(2,6-Dichlorophenyl)-2-pyrimidinamineN-(2,6-Dichlorophenyl)-2-aminopyrimidineDTXSID60216706RefChem:266708DTXCID50139197N-(2,6-dichlorophenyl)pyrimidin-2-amineSCHEMBL11617429
Database identifiers
- CAS
66501-16-4- PubChem CID
- 3050488
- DTXSID
DTXSID60216706
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 375.6 · 375.6±52.0 °C(Predicted)
- Density
- 1.447 · 1.447±0.06 g/cm3(Predicted)
- pka
- 2.11 · 2.11±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers4 total
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
上海药领医药科技合伙企业（有限合伙）400-6181121 18616383988 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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