Basic information
- CAS
85095-79-0- Standard SMILES
OC(CCl)CNc1ccccc1NCC(O)CCl- InChIKey
LKYBBUJUXPLBIC-UHFFFAOYSA-N- Molecular formula
- C12H18Cl2N2O2
- Average molar mass
- 293.19 g/mol
- Monoisotopic mass
- 292.0745332
Names & identifiers
- Preferred name
- 1,1'-(1,2-Phenylenediazanediyl)bis(3-chloropropan-2-ol)
- IUPAC
- 1-chloro-3-[2-[(3-chloro-2-hydroxypropyl)amino]anilino]propan-2-ol
Names & synonyms
85095-79-0DTXSID4010054591,1'-(1,2-Phenylenediazanediyl)bis(3-chloropropan-2-ol)RefChem:1051497DTXCID2014323412-Propanol, 1,1'-(o-phenylenediimino)bis(3-chloro-1,1'-(o-Phenylenediimino)bis(3-chloro-2-propanol)2-Propanol, 1,1'-(1,2-phenylenediimino)bis(3-chloro-N(sup 1),N(sup 2)-Bis-(gamma-chloro-beta-hydroxypropyl)-1,2-phenylenediamine1,1'-[1,2-Phenylenebis(azanediyl)]bis(3-chloropropan-2-ol)
Database identifiers
- CAS
85095-79-0- PubChem CID
- 3069747
- DTXSID
DTXSID401005459
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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