s-Triazine, 4,6-diamino-2-pentoxy-
Basic information
- CAS
30360-70-4- Standard SMILES
CCCCCOc1nc(N)nc(N)n1- InChIKey
OGYDZAGBMZQEBM-UHFFFAOYSA-N- Molecular formula
- C8H15N5O
- Average molar mass
- 197.24 g/mol
- Monoisotopic mass
- 197.12766012
Names & identifiers
- Preferred name
- s-Triazine, 4,6-diamino-2-pentoxy-
- IUPAC
- 6-pentoxy-1,3,5-triazine-2,4-diamine
- English name
- 6-(Pentyloxy)-1,3,5-triazine-2,4-diamine
- Molecular formula
- C8H15N5O
- Molecular weight
- 197.24
Names & synonyms
s-Triazine, 4,6-diamino-2-pentoxy-30360-70-4DTXSID10184441RefChem:1098282DTXCID201069326-(pentyloxy)-1,3,5-triazine-2,4-diamineBRN 0171797s-Triazine, 2,4-diamino-6-(pentyloxy)-2,4-DIAMINO-6-(PENTYLOXY)-S-TRIAZINESCHEMBL95722201,3,5-Triazine-2,4-diamine, 6-(pentyloxy)-
Database identifiers
- CAS
30360-70-4- PubChem CID
- 35117
- DTXSID
DTXSID10184441- Nikkaji
- J92.252H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 147 °C · 147 °C
- Boiling point
- 418.9 · 418.9±28.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- pka
- 4.67 · 4.67±0.10(Predicted)
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Related reactions
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Compound notes
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