Basic information
- CAS
718-43-4- Standard SMILES
Nc1ncnc(Nc2cccc(Cl)c2)n1- InChIKey
VCOVYIZDTWXVSB-UHFFFAOYSA-N- Molecular formula
- C9H8ClN5
- Average molar mass
- 221.64 g/mol
- Monoisotopic mass
- 221.046823
Names & identifiers
- Preferred name
- s-Triazine, 2-amino-4-(m-chloroanilino)-
- IUPAC
- 2-N-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine
- English name
- N-(3-Chlorophenyl)-1,3,5-triazine-2,4-diamine
- Molecular formula
- C9H8ClN5
- Molecular weight
- 221.65
Names & synonyms
718-43-4s-Triazine, 2-amino-4-(m-chloroanilino)-BRN 07918272-Amino-4-(3-chloroanilino)-s-triazineDTXSID30222051RefChem:379679DTXCID30144542n-(3-chlorophenyl)-1,3,5-triazine-2,4-diamineN2-(3-chlorophenyl)-1,3,5-triazine-2,4-diamine2-N-(3-chlorophenyl)-1,3,5-triazine-2,4-diamineMFCD002035341,3,5-Triazine-2,4-diamine, N-(3-chlorophenyl)-
Show more names
1,3,5-Triazine-2,4-diamine, N2-(3-chlorophenyl)-
N~2~-(3-Chlorophenyl)-1,3,5-triazine-2,4-diamineR-37CHEMBL14243SCHEMBL28583340ALBB-017083SBB082597STL582020AKOS002666295
Database identifiers
- CAS
718-43-4- PubChem CID
- 69747
- DTXSID
DTXSID30222051- ChEMBL
CHEMBL14243- Nikkaji
- J54.407H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Melting point
- 145 · 145-146 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 454.9 · 454.9±47.0 °C(Predicted)
- Density
- 1.483 · 1.483±0.06 g/cm3(Predicted)
- pka
- 3.51 · 3.51±0.10(Predicted)
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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