Basic information
- CAS
55470-69-4- Standard SMILES
CCCCCCCCCCCCc1ccc(S(=O)(=O)O)cc1.CN(C)CCCN- InChIKey
RUIQTRQTSAJLNX-UHFFFAOYSA-N- Molecular formula
- C23H44N2O3S
- Average molar mass
- 428.7 g/mol
- Monoisotopic mass
- 428.30726444
Overview
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Names & identifiers
- Preferred name
- N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1)
- IUPAC
- N',N'-dimethylpropane-1,3-diamine;4-dodecylbenzenesulfonic acid
- English name
- Benzenesulfonic acid, 4-dodecyl-, compd. with N,N-dimethyl-1,3-propanediamine (1:1)
- Molecular formula
- C23H44N2O3S
- Molecular weight
- 428.68
Names & synonyms
55470-69-4N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1)N,N-Dimethyl-1,3-propanediamine dodecyl-4-benzenesulfonateDTXSID50742644-Dodecylbenzene-1-sulfonic acid--N~1~,N~1~-dimethylpropane-1,3-diamine (1/1)Benzenesulfonic acid, 4-dodecyl-, compd. with N,N-dimethyl-1,3-propanediamine (1:1)
Database identifiers
- CAS
55470-69-4- PubChem CID
- 62099
- DTXSID
DTXSID5074264
Properties
Computed structural properties
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- EPA Substance Registry System
- -1 · N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1) (55470-69-4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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