6,6-Dimethyl-1-(4-nonylphenyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine
Basic information
- CAS
87739-87-5- Standard SMILES
CCCCCCCCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1- InChIKey
ZUVIHSFXFDCJKH-UHFFFAOYSA-N- Molecular formula
- C20H33N5
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.27359607
Names & identifiers
- Preferred name
- 6,6-Dimethyl-1-(4-nonylphenyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine
- IUPAC
- 6,6-dimethyl-1-(4-nonylphenyl)-1,3,5-triazine-2,4-diamine
Names & synonyms
CHEMBL3301487739-87-5DTXSID40658140BDBM504050736,6-Dimethyl-1-(4-nonylphenyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
87739-87-5- PubChem CID
- 44280730
- DTXSID
DTXSID40658140- ChEMBL
CHEMBL33014
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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