Basic information
- CAS
352286-09-0- Standard SMILES
CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1- InChIKey
JDSFSVPZISONKO-UHFFFAOYSA-N- Molecular formula
- C13H24ClN5O
- Average molar mass
- 301.81 g/mol
- Monoisotopic mass
- 301.1669381
Names & identifiers
- Preferred name
- 2-{[4-Chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino}-2-methyl-1-propanol
- IUPAC
- 2-[[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
- English name
- 2-{[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino}-2-methyl-1-propanol
- Molecular formula
- C13H24ClN5O
- Molecular weight
- 301.82
Names & synonyms
352286-09-02-[[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol2-{[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino}-2-methyl-1-propanol2-{[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino}-2-methylpropan-1-ol2-((4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl)amino)-2-methylpropan-1-olJDSFSVPZISONKO-UHFFFAOYSA-NMLS000767690CHEMBL1445188DTXSID801324633HMS2802O23STK544010AKOS005473115
Show more names
1-Propanol, 2-[[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-2-methyl-
SMR000430020AG-205/346950582-(4-Chloro-6-hexylamino-[1,3,5]triazin-2-ylamino)-2-methyl-propan-1-ol2-([4-Chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino)-2-methyl-1-propanol #Propan-1-ol, 2-(6-chloro-4-hexylamino-1,3,5-triazin-2-yl)amino-2-methyl-
Database identifiers
- CAS
352286-09-0
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 267
Experimental & physicochemical properties
Solubility3.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 476.7 · 476.7±47.0 °C(Predicted)
- Density
- 1.209 · 1.209±0.06 g/cm3(Predicted)
- pka
- 15.17 · 15.17±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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