2-Propanol, 1-(isopropylamino)-3-(2,5-xylidino)-, dihydrochloride
Basic information
- CAS
20013-94-9- Standard SMILES
Cc1ccc(C)c(NCC(O)CNC(C)C)c1.Cl.Cl- InChIKey
BHVNUVWUBTVIIY-UHFFFAOYSA-N- Molecular formula
- C14H26Cl2N2O
- Average molar mass
- 309.3 g/mol
- Monoisotopic mass
- 308.1422188
Names & identifiers
- Preferred name
- 2-Propanol, 1-(isopropylamino)-3-(2,5-xylidino)-, dihydrochloride
- IUPAC
- 1-(2,5-dimethylanilino)-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
Names & synonyms
1-(Isopropylamino)-3-(2,5-xylidino)-2-propanol dihydrochloride20013-94-92-Propanol, 1-(isopropylamino)-3-(2,5-xylidino)-, dihydrochlorideRefChem:265850DTXSID709420041-(2,5-Dimethylanilino)-3-[(propan-2-yl)amino]propan-2-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
20013-94-9- PubChem CID
- 209581
- DTXSID
DTXSID70942004
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
- 208
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Compound notes
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