1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-phenylbutyl)-
Basic information
- CAS
512-34-5- Standard SMILES
CC1(C)N=C(N)N=C(N)N1CCCCc1ccccc1- InChIKey
FFWJGCZSJMMGEI-UHFFFAOYSA-N- Molecular formula
- C15H23N5
- Average molar mass
- 273.38 g/mol
- Monoisotopic mass
- 273.19534575
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-phenylbutyl)-
- IUPAC
- 6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine
- English name
- 3,5,5-Trimethylhexanoic Acid
- Molecular formula
- C15H23N5
- Molecular weight
- 273.38
Names & synonyms
512-34-51,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-phenylbutyl)-MLS0027019346,6-dimethyl-1-(4-phenylbutyl)-1,6-dihydro-1,3,5-triazine-2,4-diamineNSC-88903NCIStruc1_001285NCIStruc2_001505SCHEMBL8738467CHEMBL1374363DTXSID801155743NCI88903CCG-36552
Show more names
NCGC000139301,6-Dihydro-6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamineNCGC00013930-02NCGC00097039-01NCI60_041971SMR001565517AK-105/408345516,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazinane-2,4-diimine
Database identifiers
- CAS
512-34-5- PubChem CID
- 417287
- DTXSID
DTXSID801155743- ChEMBL
CHEMBL1374363
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Boiling point
- 434.7 · 434.7±38.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 13.63 · 13.63±0.40(Predicted)
- EPA Substance Registry System
- 1 · 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-phenylbutyl)- (512-34-5)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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