2'-Ethylbenzoguanamine
Basic information
- CAS
72775-79-2- Standard SMILES
CCc1ccccc1-c1nc(N)nc(N)n1- InChIKey
LCYBPFAFLRTTJG-UHFFFAOYSA-N- Molecular formula
- C11H13N5
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.11709544
Names & identifiers
- Preferred name
- 2'-Ethylbenzoguanamine
- IUPAC
- 6-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
Names & synonyms
2'-ETHYLBENZOGUANAMINECHEMBL440724SCHEMBL9566415DTXSID2087640172775-79-26-(2-Ethylphenyl)-1,3,5-triazine-2,4(1H,3H)-diimine
Database identifiers
- CAS
72775-79-2- PubChem CID
- 23274232
- DTXSID
DTXSID20876401- ChEMBL
CHEMBL440724- Nikkaji
- J695.268B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 212
Experimental & physicochemical properties
LogP1.65
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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