1-Propanaminium,2-hydroxy-N,N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-3-sulfo-, inner salt supplier

Name
(2-hydroxy-3-sulphopropyl)dimethyl[3-[(1-oxododecyl)amino]propyl]ammonium hydroxide
EINECS 242-893-1
CAS No. 19223-55-3
Density 1.304[at 20℃]
Solubility 556g/L at 20℃
Melting Point
Formula C₂₀H₄₂N₂O₅S
Boiling Point 311.6℃[at 101 325 Pa]
Molecular Weight 422.63
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Propanaminium,2-hydroxy-N,N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-3-sulfo-, hydroxide,inner salt;Ammonium, (2-hydroxy-3-sulfopropyl)(3-lauramidopropyl)dimethyl-,hydroxide, inner salt (8CI);3-[(Lauramidoethyl)dimethylammonio]-2-hydroxypropanesulfonate;Ralufon CAS-OH;Softazoline LSB-R;
PSA 114.91000
LogP 3.86780

1-Propanaminium,2-hydroxy-N,N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-3-sulfo-, inner salt Specification

The 1-Propanaminium, 2-hydroxy-N, N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-3-sulfo-, inner salt, with the CAS registry number 19223-55-3, is also known as Softazoline LSB-R. Its EINECS registry number is 242-893-1. This chemical's molecular formula is C₂₀H₄₂N₂O₅S and molecular weight is 422.6229. What's more, its IUPAC name is 3-[3-(Dodecanoylamino)propyl-dimethylazaniumyl]-2-hydroxypropane-1-sulfonate.

Physical properties about 1-Propanaminium, 2-hydroxy-N, N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-3-sulfo-, inner salt are: (1)ACD/LogP: -1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.38; (4)ACD/LogD (pH 7.4): -1.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.95; (8)ACD/KOC (pH 7.4): 7.95; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 92.29 Å².

You can still convert the following datas into molecular structure:
(1) SMILES: [O-]S(=O)(=O)CC(O)C[N+](CCCNC(=O)CCCCCCCCCCC)(C)C
(2) InChI: InChI=1/C20H42N2O5S/c1-4-5-6-7-8-9-10-11-12-14-20(24)21-15-13-16-22(2,3)17-19(23)18-28(25,26)27/h19,23H,4-18H2,1-3H3,(H-,21,24,25,26,27)
(3) InChIKey: IXOCGRPBILEGOX-UHFFFAOYAP

Product Name

(2-hydroxy-3-sulphopropyl)dimethyl[3-[(1-oxododecyl)amino]propyl]ammonium hydroxide

1-Propanaminium,2-hydroxy-N,N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-3-sulfo-, inner salt Specification

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