Basic information
- CAS
69227-25-4- Standard SMILES
CC(O)CN(CC(C)O)C(=N)C(C)O.CC(O)CN(CC(C)O)CC(C)O.CCCCCCCCCCCCc1ccccc1S(=O)(=O)O- InChIKey
NHJUTUFTRIVBHP-UHFFFAOYSA-N- Molecular formula
- C36H71N3O9S
- Average molar mass
- 722 g/mol
- Monoisotopic mass
- 721.49110202
Names & identifiers
- Preferred name
- Benzenesulfonic acid, dodecyl-, compd. with 1-amino-2-propanol, 1,1'-iminobis(2-propanol) and 1,1',1''-nitrilotris(2-propanol) (1:?:?:?)
- IUPAC
- 1-[bis(2-hydroxypropyl)amino]propan-2-ol;2-dodecylbenzenesulfonic acid;2-hydroxy-N,N-bis(2-hydroxypropyl)propanimidamide
Names & synonyms
69227-25-4RefChem:118046DTXSID70904440
Database identifiers
- CAS
69227-25-4- PubChem CID
- 44145136
- DTXSID
DTXSID70904440
Properties
Computed structural properties
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 24
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 644
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, dodecyl-, compd. with 1-amino-2-propanol, 1,1'-iminobis[2-propanol] and 1,1',1''-nitrilotris[2-propanol] (1:?:?:?): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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