Basic information
- CAS
863221-46-9- Standard SMILES
Cc1cccnc1Nc1ccc(N)cc1.Cl.Cl- InChIKey
JDQSXKKZXJVPPX-UHFFFAOYSA-N- Molecular formula
- C12H15Cl2N3
- Average molar mass
- 272.17 g/mol
- Monoisotopic mass
- 271.0643029
Names & identifiers
- Preferred name
- n-(3-Methylpyrid-2-yl)benzene-1,4-diamine dihydrochloride
- IUPAC
- 4-N-(3-methyl-2-pyridinyl)benzene-1,4-diamine;dihydrochloride
Names & synonyms
SCHEMBL4813275JDQSXKKZXJVPPX-UHFFFAOYSA-NDTXSID601374551n-(3-methylpyrid-2-yl)benzene-1,4-diamine dihydrochloride1,4-Benzenediamine, N1-(3-methyl-2-pyridinyl)-, hydrochloride (1:2)863221-46-9
Database identifiers
- CAS
863221-46-9- PubChem CID
- 69201221
- DTXSID
DTXSID601374551
Properties
Computed structural properties
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 187
Related reactions
1 records
Compound notes
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