6-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine
Basic information
- CAS
29366-77-6- Standard SMILES
Nc1nc(N)nc(-c2ccccc2Cl)n1- InChIKey
RDRNLYCDZBVQKZ-UHFFFAOYSA-N- Molecular formula
- C9H8ClN5
- Average molar mass
- 221.64 g/mol
- Monoisotopic mass
- 221.046823
Names & identifiers
- Preferred name
- 6-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
- English name
- 6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
- Molecular formula
- C9H8ClN5
- Molecular weight
- 221.65
Names & synonyms
6-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine29366-77-61,3,5-Triazine-2,4-diamine, 6-(2-chlorophenyl)-AI3-62829EINECS 249-587-7DTXSID70183591NSC 121171RefChem:539193DTXCID10106082249-587-7o-Chlorobenzoguanamines-Triazine, 2,4-diamino-6-(o-chlorophenyl)-
Show more names
Irsogladine Impurity2,4-Diamino-6-(2-chlorophenyl)-1,3,5-triazine
NSC-121171NSC121171Maybridge1_006979hsp90_179CHEMBL342886DFZ9452WV2SCHEMBL2490905SCHEMBL29808150
Database identifiers
- CAS
29366-77-6- PubChem CID
- 97399
- DTXSID
DTXSID70183591- ChEMBL
CHEMBL342886- UNII
- DFZ9452WV2
- EC Number
- 249-587-7
- Nikkaji
- J102.786G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Experimental & physicochemical properties
LogP1.19
Physicochemical properties
- Boiling point
- 524.8 · 524.8±52.0 °C(Predicted)
- Density
- 1.468 · 1.468±0.06 g/cm3(Predicted)
- pka
- 4.05 · 4.05±0.10(Predicted)
- FDA UNII
- 9452 WV2 · DFZ9452WV2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses6-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine is heterocyclic compound superoxide dismutase inhibitors for modulation of neurodegenerative diseases.
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Related reactions
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Compound notes
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