Basic information
- CAS
568570-13-8- Standard SMILES
Cc1ccccc1Nc1nc(N)nc(CCl)n1- InChIKey
XUKNUJFKXDHIKN-UHFFFAOYSA-N- Molecular formula
- C11H12ClN5
- Average molar mass
- 249.7 g/mol
- Monoisotopic mass
- 249.0781231
Names & identifiers
- Preferred name
- 6-(chloromethyl)-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-(chloromethyl)-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
- English name
- 6-CHLOROMETHYL-N-O-TOLYL-[1,3,5]TRIAZINE-2,4-DIAMINE
- Molecular formula
- C11H12ClN5
- Molecular weight
- 249.7
Names & synonyms
568570-13-86-(chloromethyl)-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamineRefChem:539624880-864-06-Chloromethyl-N-o-tolyl-[1,3,5]triazine-2,4-diamine6-(Chloromethyl)-N2-(o-tolyl)-1,3,5-triazine-2,4-diamine6-(chloromethyl)-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamineMFCD039413196-(chloromethyl)-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine1,3,5-Triazine-2,4-diamine, 6-(chloromethyl)-N-(2-methylphenyl)-[4-amino-6-(chloromethyl)(1,3,5-triazin-2-yl)](2-methylphenyl)amineMLS000332270
Show more names
ST5106442SMR000435022ZINC00526105ASISCHEM C36475AKOS BBS-00005488OTAVA-BB BB7020410116
CHEMBL1373967HMS2800M11KUC105477NALBB-022046KSC-16-12SBB041764STK136947AKOS000270269
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
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- White to off-white Solid
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers11 total
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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