1-Propanesulfonic acid,3-(acetylamino)- supplier

Name
3-(acetylamino)propanesulphonic acid
EINECS 278-667-4
CAS No. 77337-76-9
Density 1.336 g/cm³
Solubility
Melting Point
Formula C₅H₁₁NO₄S
Boiling Point
Molecular Weight 181.21
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Acetamido-1-propanesulfonic acid;3-(Acetylamino)propane-1-sulfonic acid;Acamprosate;
PSA 95.34000
LogP 1.32150

1-Propanesulfonic acid,3-(acetylamino)- Specification

The 1-Propanesulfonic acid,3-(acetylamino)-, with the CAS registry number 77337-76-9, is also known as 3-Acetamido-1-propanesulfonic acid. Its EINECS number is 278-667-4. The molecular formula of this chemical is C₅H₁₁NO₄S and molecular weight is 181.21. What's more, its systematic name is 3-(Acetylamino)propane-1-sulfonic acid. Its classification codes are: (1)Alcohol deterrents; (2)Central Nervous System Agents.

Physical properties of 1-Propanesulfonic acid,3-(acetylamino)- are: (1)ACD/LogP: -2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.99; (4)ACD/LogD (pH 7.4): -6.13; (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: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 72.06 Å²; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 39.31 cm³; (15)Molar Volume: 135.5 cm³; (16)Polarizability: 15.58×10^-24 cm³; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.336 g/cm³.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NCCCS(=O)(=O)O
(2)InChI: InChI=1S/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10)
(3)InChIKey: AFCGFAGUEYAMAO-UHFFFAOYSA-N

Product Name

3-(acetylamino)propanesulphonic acid

1-Propanesulfonic acid,3-(acetylamino)- Specification

Related Products

Hot Products