3-[N,N-Bis(2-hydroxyethyl)amino]-2-hydroxy-1-propanesulfonic acid supplier

Name
3-[N,N-Bis(2-hydroxyethyl)amino]-2-hydroxy-1-propanesulfonic acid
EINECS 269-992-2
CAS No. 68399-80-4
Article Data1
CAS DataBase
Density 1.494 g/cm³
Solubility water: 0.1 M at 20 °C, clear, colorless
Melting Point 189-192 °C
Formula C₇H₁₇NO₆S
Boiling Point 449oC
Molecular Weight 243.281
Flash Point
Transport Information
Appearance white powder
Safety 24/25-36-26-16-7/9
Risk Codes 10-36/37/38
Molecular Structure
Hazard Symbols F，Xi
Synonyms 3-[Bis(2-hydroxyethyl)amino]-2-hydroxypropanesulfonicacid;DIPSO;NSC 378145;3-(N,N-Bis(2-hydroxyethyl)amino)-2-hydroxypropanesulfonic acid;3-[Bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid;AC1L2OAY;AC1Q6X2T;ARONIS24160;
PSA 126.68000
LogP -1.39750

3-[N,N-Bis(2-hydroxyethyl)amino]-2-hydroxy-1-propanesulfonic acid Specification

The 1-Propanesulfonic acid,3-[bis(2-hydroxyethyl)amino]-2-hydroxy- with CAS registry number of 68399-80-4 is also known as 3-(N,N-Bis(2-hydroxyethyl)amino)-2-hydroxypropanesulfonic acid. The IUPAC name is 3-[Bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid. It belongs to product categories of Pharmaceutical Intermediates; Biochemistry; Good's Buffers. Its EINECS registry number is 269-992-2. In addition, the formula is C₇H₁₇NO₆S and the molecular weight is 243.28. This chemical is a white powder and should be stored in sealed containers in cool, dry place and away from oxidizing agents.

Physical properties about 1-Propanesulfonic acid,3-[bis(2-hydroxyethyl)amino]-2-hydroxy- are: (1)ACD/LogP: -2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.06; (4)ACD/LogD (pH 7.4): -5.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 82.68Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 53.27 cm³; (15)Molar Volume: 162.7 cm³; (16)Surface Tension: 78 dyne/cm; (17)Density: 1.494 g/cm³.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is flammable. During using it, wear suitable protective clothing. Avoid contact with skin and eyes and keep away from sources of ignition. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. After using it, keep container tightly closed and dry.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C(CO)N(CCO)CC(CS(=O)(=O)O)O
2. InChI: InChI=1S/C7H17NO6S/c9-3-1-8(2-4-10)5-7(11)6-15(12,13)14/h7,9-11H,1-6H2,(H,12,13,14)
3. InChIKey: XCBLFURAFHFFJF-UHFFFAOYSA-N

Product Name

3-[N,N-Bis(2-hydroxyethyl)amino]-2-hydroxy-1-propanesulfonic acid

3-[N,N-Bis(2-hydroxyethyl)amino]-2-hydroxy-1-propanesulfonic acid Specification

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