Basic information
- CAS
573950-75-1- Standard SMILES
Cc1cccc(Nc2nc(N)nc(CCl)n2)c1- InChIKey
RRFIGUHVIZZXQT-UHFFFAOYSA-N- Molecular formula
- C11H12ClN5
- Average molar mass
- 249.7 g/mol
- Monoisotopic mass
- 249.0781231
Overview
6-(chloromethyl)-N2-(3-methylphenyl)-1,3,5-triazine-2,4-diamine is a diamino-1,3,5-triazine.
Names & identifiers
- Preferred name
- 6-(Chloromethyl)-N~2~-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-(chloromethyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
- English name
- AKOS BBS-00005484
- Molecular formula
- C11H12ClN5
- Molecular weight
- 249.7
Names & synonyms
573950-75-1DTXSID103590766-(Chloromethyl)-N~2~-(3-methylphenyl)-1,3,5-triazine-2,4-diamineRefChem:306758DTXCID003101316-(chloromethyl)-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine6-(Chloromethyl)-N2-(m-tolyl)-1,3,5-triazine-2,4-diamine6-(chloromethyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamineMFCD03941316MLS0003323596-(chloromethyl)-N2-(3-methylphenyl)-1,3,5-triazine-2,4-diamineSMR000435021
Show more names
AKOS VGY0018479ASISCHEM C36472AKOS BBS-00005484CHEMBRDG-BB 90716941,3,5-Triazine-2,4-diamine, 6-(chloromethyl)-N2-(3-methylphenyl)-6-(chloromethyl)-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine(SALTDATA: FREE)
6-Chloromethyl-N-m-tolyl-[1,3,5]triazine-2,4-diamine1,3,5-Triazine-2,4-diamine, 6-(chloromethyl)-N-(3-methylphenyl)-[4-amino-6-(chloromethyl)(1,3,5-triazin-2-yl)](3-methylphenyl)aminecid_936364CHEMBL1528258BDBM33937CHEBI:115745HMS2800O13
Database identifiers
- CAS
573950-75-1- PubChem CID
- 936364
- DTXSID
DTXSID10359076- ChEMBL
CHEMBL1528258- ChEBI
CHEBI:115745
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 240
Experimental & physicochemical properties
Solubility>37.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: 6-(chloromethyl)-N2-(3-methylphenyl)-1,3,5-triazine-2,4-diamine is a diamino-1,3,5-triazine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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