Basic information
- CAS
13039-35-5- Standard SMILES
CCCCCCCC1=NCC[N+]1(CCO)CC(=O)[O-].[Na+].[OH-]- InChIKey
RPMKFLHCEZQTGO-UHFFFAOYSA-M- Molecular formula
- C14H27N2NaO4
- Average molar mass
- 310.36 g/mol
- Monoisotopic mass
- 310.18685163
Overview
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Names & identifiers
- Preferred name
- 1H-Imidazolium, 1-(carboxymethyl)-2-heptyl-4,5-dihydro-1-(2-hydroxyethyl)-, hydroxide, sodium salt (1:1:1)
- IUPAC
- sodium;2-[2-heptyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]acetate;hydroxide
Names & synonyms
2-Imidazolinium, 1-(carboxymethyl)-2-heptyl-1-(2-hydroxyethyl)-, hydroxide, sodium salt1H-Imidazolium, 1-(carboxymethyl)-2-heptyl-4,5-dihydro-1-(2-hydroxyethyl)-, hydroxide, sodium salt (1:1:1)RefChem:43847013039-35-51H-Imidazolium, 1-(carboxymethyl)-2-heptyl-4,5-dihydro-1-(2-hydroxyethyl)-, hydroxide, monosodium saltDTXSID60926712RPMKFLHCEZQTGO-UHFFFAOYSA-MEINECS 235-907-21-(Carboxylatomethyl)-2-heptyl-1-(2-hydroxyethyl)-2-imidazolinium,sodium salt1-(Carboxymethyl)-1-(2-hydroxyethyl)-2-heptyl-2-imidazolinium, hydroxide, monosodium salt1H-Imidazolium, 1-(carboxymethyl)-2-heptyl-1-(2-hydroxyethyl)-, hydroxide, sodium saltSodium hydroxide--[2-heptyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium-1-yl]acetate (1/1/1)
Database identifiers
- CAS
13039-35-5- PubChem CID
- 83074
- DTXSID
DTXSID60926712
Properties
Computed structural properties
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 312
Experimental & physicochemical properties
CosmeticsFoaming; Surfactant; Cleansing; Hair conditioning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: 2-Imidazolinium, 1-(carboxymethyl)-2-heptyl-1-(2-hydroxyethyl)-, hydroxide, sodium salt
1-(carboxylatomethyl)-2-heptyl-1-(2-hydroxyethyl)-2-imidazolinium, sodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Foaming; Surfactant; Cleansing; Hair conditioning
General Manufacturing Information1H-Imidazolium, 1-(carboxymethyl)-2-heptyl-4,5-dihydro-1-(2-hydroxyethyl)-, hydroxide, sodium salt (1:1:1): ACTIVE
Related reactions
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Compound notes
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