4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine
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Basic information
- CAS
2272-40-4- Standard SMILES
Clc1nc(Cl)nc(Nc2ccccc2)n1- InChIKey
SACFASUHQGNXOD-UHFFFAOYSA-N- Molecular formula
- C9H6Cl2N4
- Average molar mass
- 241.07 g/mol
- Monoisotopic mass
- 239.9969516
Overview
inhibits the binding of NF-kappaB to DNA; structure in first source
Names & identifiers
- Preferred name
- 4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine
- IUPAC
- 4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine
- English name
- 4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine
- Molecular formula
- C9H6Cl2N4
- Molecular weight
- 241.08
Names & synonyms
4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine2272-40-4DTXSID60274583NI-241NI241 cpdRefChem:911910DTXCID70226053(4,6-Dichloro-[1,3,5]triazin-2-yl)-phenyl-amineMFCD004529142,4-Dichloro-6-phenylamino-S-triazineCHEMBL5768972,4-Dichloro-6-anilino-1,3,5-triazine
Show more names
2,6-Dichloro-4-anilino-1,3,5-triazineN-(2,4-Dichloro-1,3,5-triazine-6-yl)aniline2,6-Dichloro-N-phenyl-1,3,5-triazine-4-amine1,3,5-Triazin-2-amine,4,6-dichloro-N-phenyl-
2-Anilino-4,6-dichloro-1,3,5-triazineTimTec1_006887SCHEMBL113103SCHEMBL10642643HMS1553J01CAA27240CS-M07512,4-Dichloro-6-anilino-S-triazine
Database identifiers
- CAS
2272-40-4- PubChem CID
- 16766
- DTXSID
DTXSID60274583- ChEMBL
CHEMBL576897- Nikkaji
- J33.247J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 189
Experimental & physicochemical properties
LogP3.03
Physicochemical properties
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to gray Solid
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Related reactions
17 records
Compound notes
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