2-Propanol, 1-(isopropylamino)-3-o-toluidino-, dihydrochloride
Basic information
- CAS
20013-86-9- Standard SMILES
Cc1ccccc1NCC(O)CNC(C)C.Cl.Cl- InChIKey
RICAUVFIXSKSGT-UHFFFAOYSA-N- Molecular formula
- C13H24Cl2N2O
- Average molar mass
- 295.2 g/mol
- Monoisotopic mass
- 294.1265688
Names & identifiers
- Preferred name
- 2-Propanol, 1-(isopropylamino)-3-o-toluidino-, dihydrochloride
- IUPAC
- 1-(2-methylanilino)-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
Names & synonyms
1-(Isopropylamino)-3-o-toluidino-2-propanol dihydrochloride20013-86-92-Propanol, 1-(isopropylamino)-3-o-toluidino-, dihydrochloride1-(Isopropilamino)-3-o-toluidino-2-propanolo diidocloridrat [Italian]1-(Isopropilamino)-3-o-toluidino-2-propanolo diidocloridratRefChem:265861DTXSID309420001-(2-Methylanilino)-3-[(propan-2-yl)amino]propan-2-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
20013-86-9- PubChem CID
- 209573
- DTXSID
DTXSID30942000
Properties
Computed structural properties
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 185
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Compound notes
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