Basic information
- CAS
109350-99-4- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1.Cl- InChIKey
YXZKUKGPRKUGBR-UHFFFAOYSA-N- Molecular formula
- C17H19ClN6O3
- Average molar mass
- 390.8 g/mol
- Monoisotopic mass
- 390.1207162
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-(4-nitrophenoxy)phenyl)-, monohydrochloride
- IUPAC
- 6,6-dimethyl-1-[4-(4-nitrophenoxy)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride
Names & synonyms
1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-(4-nitrophenoxy)phenyl)-, monohydrochloride1,6-Dihydro-6,6-dimethyl-1-(4-(4-nitrophenoxy)phenyl)-1,3,5-triazine-2,4-diamine HCl109350-99-4DTXSID90148905RefChem:217357DTXCID40713966,6-Dimethyl-1-[4-(4-nitrophenoxy)phenyl]-1,6-dihydro-1,3,5-triazine-2,4-diamine--hydrogen chloride (1/1)
Database identifiers
- CAS
109350-99-4- PubChem CID
- 3065985
- DTXSID
DTXSID90148905
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 584
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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