s-Triazine, 2-sec-butoxy-4,6-diamino-
Basic information
- CAS
28008-01-7- Standard SMILES
CCC(C)Oc1nc(N)nc(N)n1- InChIKey
DWHLCIUTVKHILE-UHFFFAOYSA-N- Molecular formula
- C7H13N5O
- Average molar mass
- 183.21 g/mol
- Monoisotopic mass
- 183.11201006
Names & identifiers
- Preferred name
- s-Triazine, 2-sec-butoxy-4,6-diamino-
- IUPAC
- 6-butan-2-yloxy-1,3,5-triazine-2,4-diamine
- English name
- 6-sec-Butoxy-s-triazine-2,4-diamine
- Molecular formula
- C7H13N5O
- Molecular weight
- 183.21
Names & synonyms
s-Triazine, 2-sec-butoxy-4,6-diamino-28008-01-7RefChem:10982772-sec-Butoxy-4,6-diamino-s-triazineBRN 0164196DTXSID209506946-[(Butan-2-yl)oxy]-1,3,5-triazine-2,4(1H,3H)-diimine6-sec-Butoxy-s-triazine-2,4-diamine6-sec-Butoxy-1,3,5-triazine-2,4-diamine1,3,5-Triazine-2,4-diamine, 6-(1-methylpropoxy)-
Database identifiers
- CAS
28008-01-7- PubChem CID
- 119787
- DTXSID
DTXSID20950694- Nikkaji
- J48.122J
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Boiling point
- 404.4 · 404.4±28.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- pka
- 4.63 · 4.63±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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