6-Tridecyl-1,3,5-triazine-2,4-diamine
Basic information
- CAS
6134-02-7- Standard SMILES
CCCCCCCCCCCCCc1nc(N)nc(N)n1- InChIKey
IHZNXUFURDYYKI-UHFFFAOYSA-N- Molecular formula
- C16H31N5
- Average molar mass
- 293.45 g/mol
- Monoisotopic mass
- 293.25794601
Names & identifiers
- Preferred name
- 6-Tridecyl-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-tridecyl-1,3,5-triazine-2,4-diamine
- English name
- 6-Tridecyl-1,3,5-triazine-2,4-diamine
- Molecular formula
- C16H31N5
- Molecular weight
- 293.45
Names & synonyms
6-Tridecyl-1,3,5-triazine-2,4-diamine6134-02-7EINECS 228-103-8RefChem:105292228-103-8SCHEMBL11408908DTXSID80976855IHZNXUFURDYYKI-UHFFFAOYSA-NNS000455396-Tridecyl-1,3,5-triazine-2,4(1H,3H)-diimine1,3,5-Triazine-2,4-diamine, 6-tridecyl-
Database identifiers
- CAS
6134-02-7- PubChem CID
- 80216
- DTXSID
DTXSID80976855- EC Number
- 228-103-8
- Nikkaji
- J227.313F
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 494.6 · 494.6±28.0 °C(Predicted)
- Density
- 1.018 · 1.018±0.06 g/cm3(Predicted)
- pka
- 4.46 · 4.46±0.10(Predicted)
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Compound notes
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