N-benzyl-4,6-dichloro-N-methylpyrimidin-2-amine
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Basic information
- CAS
1289029-54-4- Standard SMILES
CN(Cc1ccccc1)c1nc(Cl)cc(Cl)n1- InChIKey
WHOQRFPBPUGWPV-UHFFFAOYSA-N- Molecular formula
- C12H11Cl2N3
- Average molar mass
- 268.14 g/mol
Names & identifiers
- Preferred name
- N-benzyl-4,6-dichloro-N-methylpyrimidin-2-amine
- IUPAC
- N-benzyl-4,6-dichloro-N-methylpyrimidin-2-amine
- English name
- N-benzyl-4,6-dichloro-N-MethylpyriMidin-2-aMine
- Molecular formula
- C12H11Cl2N3
- Molecular weight
- 268.14
Names & synonyms
N-benzyl-4,6-dichloro-N-methylpyrimidin-2-amine1289029-54-4WLZ2973AKOS032960701DB-3209412-Pyrimidinamine, 4,6-dichloro-N-methyl-N-(phenylmethyl)-
Database identifiers
- CAS
1289029-54-4
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 29 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 415 · 415.0±55.0 °C(Predicted)
- Density
- 1.351 · 1.351±0.06 g/cm3(Predicted)
- pka
- 0.44 · 0.44±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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