Basic information
- CAS
22242-55-3- Standard SMILES
CC1(C)N=C(N)N=C(N)N1COc1ccc(Cl)c(Cl)c1.Cl- InChIKey
UUIHIMMKQQFOAP-UHFFFAOYSA-N- Molecular formula
- C12H16Cl3N5O
- Average molar mass
- 352.6 g/mol
- Monoisotopic mass
- 351.042043
Names & identifiers
- Preferred name
- 1-[(3,4-Dichlorophenoxy)methyl]-6,6-dimethyl-1,3,5-triazinane-2,4-diimine--hydrogen chloride (1/1)
- IUPAC
- 1-[(3,4-dichlorophenoxy)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
Names & synonyms
1-[(3,4-Dichlorophenoxy)methyl]-6,6-dimethyl-1,3,5-triazinane-2,4-diimine--hydrogen chloride (1/1)DTXSID70944886
Database identifiers
- CAS
22242-55-3- PubChem CID
- 31084
- DTXSID
DTXSID70944886
Properties
Computed structural properties
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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