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68399-79-1

Basic Information
CAS No.: 68399-79-1
Name: AMPSO
Article Data: 2
Molecular Structure:
Molecular Structure of 68399-79-1 (AMPSO)
Formula: C7H17NO5S
Molecular Weight: 227.282
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;
EINECS: 269-991-7
Density: 1.361 g/cm3
Melting Point: ~222 °C
Solubility: Soluble in water (333.33 mg/ml, clear to slightly hazy colorless solution).
Appearance: white crystalline powder
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22-36/37/38
Safety: 24/25-36-26
PSA: 115.24000
LogP: 0.06730
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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