Basic information
- CAS
13344-99-5- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)c(Cl)c1- InChIKey
FPULLBVUFHTKQQ-UHFFFAOYSA-N- Molecular formula
- C11H13Cl2N5
- Average molar mass
- 286.16 g/mol
- Monoisotopic mass
- 285.0548008
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, 1-(3,4-dichlorophenyl)-1,6-dihydro-6,6-dimethyl-
- IUPAC
- 1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
- English name
- 5-(3,4-Dichlorophenyl)-6,6-dimethyl-5,6-dihydro-1,3,5-triazine-2,4-diamine
- Molecular formula
- C11H13Cl2N5
- Molecular weight
- 286.16
Names & synonyms
13344-99-51,3,5-Triazine-2,4-diamine, 1-(3,4-dichlorophenyl)-1,6-dihydro-6,6-dimethyl-1-(3,4-Dichlorophenyl)-1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamineNSC 3077NSC 3877UNII-0624073F45NSC 159729NSC-159729DTXSID00158111NSC-3077NSC-3877s-Triazine, 4,6-diamino-1-(3,4-dichlorophenyl)-1,2-dihydro-2,2-dimethyl-
Show more names
Chlorcycloguanil6,6-Dimethyl-5-(3,4-dichlorophenyl)-5,6-dihydro-1,3,5-triazine-2,4-diamine5-(3,4-Dichlorophenyl)-6,6-dimethyl-5,6-dihydro-1,3,5-triazine-2,4-diamine4,6-Diamino-1-(3,4-dichlorophenyl)-1,2-dihydro-2,2-dimethyl-1,3,5-triazine
0624073F45RefChem:196744DTXCID60806021-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamineCHEMBL92583NSC159729NSC3077D 54
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- Melting point
- 213 °C · 213 °C
- Boiling point
- 440.2 · 440.2±55.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 8.38 · 8.38±0.40(Predicted)
- FDA UNII
- 624073 F45 · 0624073F45
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…