Agn-PC-0jko2N
Basic information
- CAS
30355-03-4- Standard SMILES
CCCCCCCCCCCCNc1nc(Cl)nc(NCCCCCCCCCCCC)n1- InChIKey
IBKVDGYTDFYSGC-UHFFFAOYSA-N- Molecular formula
- C27H52ClN5
- Average molar mass
- 482.2 g/mol
- Monoisotopic mass
- 481.3911244
Names & identifiers
- Preferred name
- Agn-PC-0jko2N
- IUPAC
- 6-chloro-2-N,4-N-didodecyl-1,3,5-triazine-2,4-diamine
Names & synonyms
AGN-PC-0JKO2N30355-03-4DTXSID302751236-Chloro-N~2~,N~4~-didodecyl-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
30355-03-4- PubChem CID
- 34929
- DTXSID
DTXSID30275123
Properties
Computed structural properties
- XLogP
- 12.7
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 24
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 365
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Compound notes
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