2-Propanol, 1-(4-chloro-o-toluidino)-3-(isopropylamino)-, dihydrochloride
Basic information
- CAS
20014-03-3- Standard SMILES
Cc1cc(Cl)ccc1NCC(O)CNC(C)C.Cl.Cl- InChIKey
JMSKXSQJXIDIBJ-UHFFFAOYSA-N- Molecular formula
- C13H23Cl3N2O
- Average molar mass
- 329.7 g/mol
- Monoisotopic mass
- 328.087596
Names & identifiers
- Preferred name
- 2-Propanol, 1-(4-chloro-o-toluidino)-3-(isopropylamino)-, dihydrochloride
- IUPAC
- 1-(4-chloro-2-methylanilino)-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
Names & synonyms
20014-03-31-(4-Chloro-o-toluidino)-3-(isopropylamino)-2-propanol dihydrochloride1-(4-Cloro-o-toluidino)-3-(isopropilamino)-2-propanolo diidocloridrat [Italian]2-Propanol, 1-(4-chloro-o-toluidino)-3-(isopropylamino)-, dihydrochloride1-(4-Cloro-o-toluidino)-3-(isopropilamino)-2-propanolo diidocloridratRefChem:265775DTXSID109420081-(4-Chloro-2-methylanilino)-3-[(propan-2-yl)amino]propan-2-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
20014-03-3- PubChem CID
- 209588
- DTXSID
DTXSID10942008
Properties
Computed structural properties
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 214
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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