3-[(1,1-Dimethyl-2-hydroxyethyl)amino]-2-hydroxypropanesulfonicacid supplier

Name
AMPSO
EINECS 269-991-7
CAS No. 68399-79-1
Article Data2
CAS DataBase
Density 1.361 g/cm³
Solubility Soluble in water (333.33 mg/ml, clear to slightly hazy colorless solution).
Melting Point ~222 °C
Formula C₇H₁₇NO₅S
Boiling Point
Molecular Weight 227.282
Flash Point
Transport Information
Appearance white crystalline powder
Safety 24/25-36-26
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 1-Propanesulfonic acid,2-hydroxy-3-[(2-hydroxy-1,1-dimethylethyl)amino]-;AMPSO;NSC 378146;2-Hydroxy-3-((2-hydroxy-1,1-dimethylethyl)amino)propanesulphonic acid;3-(N-(1,1-Dimethylhydroxyethyl)amino)-2-hydroxy-propanesulfonic acid;
PSA 115.24000
LogP 0.06730

3-[(1,1-Dimethyl-2-hydroxyethyl)amino]-2-hydroxypropanesulfonicacid Specification

The 3-[(1,1-Dimethyl-2-hydroxyethyl)amino]-2-hydroxypropanesulfonicacid, with the CAS registry number 68399-79-1, is also known as 1-Propanesulfonic acid,2-hydroxy-3-[(2-hydroxy-1,1-dimethylethyl)amino]-. It belongs to the product category of Buffer. Its EINECS number is 269-991-7. This chemical's molecular formula is C₇H₁₇NO₅S and formula weight is 227.2786. What's more, its IUPAC name is 2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propane-1-sulfonic acid. It should be sealed and stored in a cool and dry place and be protected from strong oxidizes.

Physical properties of 3-[(1,1-Dimethyl-2-hydroxyethyl)amino]-2-hydroxypropanesulfonicacid are: (1)ACD/LogP: -2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.76; (4)ACD/LogD (pH 7.4): -4.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 73.45 Å²; (11)Index of Refraction: 1.529; (12)Molar Refractivity: 51.51 cm³; (13)Molar Volume: 166.8 cm³; (14)Surface Tension: 60 dyne/cm; (15)Density: 1.361 g/cm³.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. You should avoid contact with skin and eyes. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(CO)NCC(CS(=O)(=O)O)O
(2)InChI: InChI=1S/C7H17NO5S/c1-7(2,5-9)8-3-6(10)4-14(11,12)13/h6,8-10H,3-5H2,1-2H3,(H,11,12,13)
(3)InChIKey: ACERFIHBIWMFOR-UHFFFAOYSA-N

Product Name

AMPSO

3-[(1,1-Dimethyl-2-hydroxyethyl)amino]-2-hydroxypropanesulfonicacid Specification

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