3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-dipropylpropanamide;ethanesulfonic acid
Basic information
- CAS
50508-11-7- Standard SMILES
CCCN(CCC)C(=O)CCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.CCS(=O)(=O)O- InChIKey
SLTFZEGBBDEYIC-UHFFFAOYSA-N- Molecular formula
- C22H38N6O4S
- Average molar mass
- 482.6 g/mol
- Monoisotopic mass
- 482.26752489
Names & identifiers
- Preferred name
- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-dipropylpropanamide;ethanesulfonic acid
- IUPAC
- 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-dipropylpropanamide;ethanesulfonic acid
Names & synonyms
50508-11-7NSC140386DTXSID30301017NSC-140386DS-0047253-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-dipropyl-propanamideEthanesulfonic acid--3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-N,N-dipropylpropanamide (1/1)
Database identifiers
- CAS
50508-11-7- PubChem CID
- 284548
- DTXSID
DTXSID30301017
Properties
Computed structural properties
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 662
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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