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Tetrasodium N-(3-carboxylato-1-oxo-2-sulphonatopropyl)-N-octadecyl-L-aspartate

HCID 18841
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Basic information

CAS
3401-73-8
Standard SMILES
CCCCCCCCCCCCCCCCCCN(C(=O)C(CC(=O)[O-])S(=O)(=O)[O-])C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIKey
NFMQQRDRBWZBOH-UHFFFAOYSA-J
Molecular formula
C26H43NNa4O10S
Average molar mass
653.6 g/mol
Monoisotopic mass
653.21984487

Overview

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Names & identifiers

Preferred name
Tetrasodium N-(3-carboxylato-1-oxo-2-sulphonatopropyl)-N-octadecyl-L-aspartate
IUPAC
tetrasodium;2-[(3-carboxylato-2-sulfonatopropanoyl)-octadecylamino]butanedioate
English name
tetrasodium N-(3-carboxylato-1-oxo-2-sulphonatopropyl)-N-octadecyl-L-aspartate
Molecular formula
C26H48NNaO10S
Molecular weight
589.72

Names & synonyms

Tetrasodium N-(3-carboxylato-1-oxo-2-sulphonatopropyl)-N-octadecyl-L-aspartateDTXSID4042464SCHEMBL30296563NFMQQRDRBWZBOH-UHFFFAOYSA-Jtetrasodium;2-[(3-carboxylato-2-sulfonatopropanoyl)-octadecylamino]butanedioateNS00083610TETRASODIUM 2-(3-CARBOXYLATO-N-OCTADECYL-2-SULFONATOPROPANAMIDO)BUTANEDIOATEtetrasodium dicarboxy ethyl stearyltetrasodiumdicarboxyethylstearylsulfosuccinatetetrasodium dicarboxy ethyl stearyl sulfosuccinateTETRASODIUM DICARBOXYETHYL STEARYL SULFOSUCCINAMATE(2S)-2-[(3-carboxylato-2-sulfonatopropanoyl)-octadecylamino]butanedioate
Show more names
n-(3-carboxy-1-oxo-2-sulfopropyl)-n-octadecyl-l-aspartic aci tetrasodium san-(3-carboxy-1-oxo-2-sulfopropyl)-n-octadecyl-l-aspartic aci tetrasodium salttetrasodium,2-[(3-carboxylato-2-sulfonatopropanoyl)-octadecylamino]butanedioateL-Aspartic acid, N-(3-carboxy-1-oxo-2-sulfopropyl)-N-octadecyl-, tetrasodium salt

Properties

Computed structural properties

Topological polar surface area
206 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
10
Rotatable bonds
21
Heavy atoms
42
Formal charge
0
Complexity
779

Physicochemical properties

Cosmetics Ingredients Functions
SURFACTANT - HYDROTROPECLEANSINGSURFACTANT - CLEANSINGSURFACTANT - EMULSIFYING
Indirect Additives used in Food Contact Substances
TETRASODIUM N-(1,2-DICARBOXYETHYL)-N-OCTADECYLSULFOSUCCINAMATE
FDA 21 CFR
175.105 · 175.105; 176.170; 176.180;178.3400
EWG's Food Scores
1 · 1
FDA UNII
84 KT84Y3KM · 84KT84Y3KM
EPA Substance Registry System
Tetrasodium dicarboxyethyl stearyl sulfosuccinamate (3401-73-8)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319-H413
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H413
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P

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Compound notes

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Database identifiers

CAS
3401-73-8
PubChem CID
18841
DTXSID
DTXSID4042464
Nikkaji
J1.202.474F