2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N,N-diethylacetamide;ethanesulfonic acid
Basic information
- CAS
50507-96-5- Standard SMILES
CCN(CC)C(=O)COc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.CCS(=O)(=O)O- InChIKey
OAOYEPBLKQCGHM-UHFFFAOYSA-N- Molecular formula
- C19H32N6O5S
- Average molar mass
- 456.6 g/mol
- Monoisotopic mass
- 456.21548932
Names & identifiers
- Preferred name
- 2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N,N-diethylacetamide;ethanesulfonic acid
- IUPAC
- 2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N,N-diethylacetamide;ethanesulfonic acid
Names & synonyms
50507-96-5NSC140387DTXSID10964725NSC-140387DS-0128272-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N,N-diethyl-acetamideEthanesulfonic acid--2-[4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenoxy]-N,N-diethylacetamide (1/1)
Database identifiers
- CAS
50507-96-5- PubChem CID
- 284550
- DTXSID
DTXSID10964725
Properties
Computed structural properties
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 639
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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