Diethyl(4,6-diamino-1,3,5-triazin-2-yl)phosphonate
Basic information
- CAS
4230-55-1- Standard SMILES
CCOP(=O)(OCC)c1nc(N)nc(N)n1- InChIKey
DDMIIIHVHWXZLV-UHFFFAOYSA-N- Molecular formula
- C7H14N5O3P
- Average molar mass
- 247.19 g/mol
- Monoisotopic mass
- 247.08342632
Names & identifiers
- Preferred name
- Diethyl(4,6-diamino-1,3,5-triazin-2-yl)phosphonate
- IUPAC
- 6-diethoxyphosphoryl-1,3,5-triazine-2,4-diamine
Names & synonyms
4230-55-1diethyl(4,6-diamino-1,3,5-triazin-2-yl)phosphonateDTXSID30299748RefChem:338080DTXCID20250883Diethyl (4,6-diamino-1,3,5-triazin-2-yl)phosphonateNSC132504SCHEMBL7519395NSC-132504
Database identifiers
- CAS
4230-55-1- PubChem CID
- 280625
- DTXSID
DTXSID30299748- Nikkaji
- J1.736.569J
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
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Related reactions
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Compound notes
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