Basic Information | Post buying leads | Suppliers |
Name |
Propanoic acid, 3-(aminosulfonyl)-, methyl ester |
EINECS | N/A |
CAS No. | 15441-08-4 | Density | 1.362 g/cm3 |
PSA | 94.84000 | LogP | 0.61910 |
Solubility | N/A | Melting Point |
69℃ |
Formula | C4H9NO4S | Boiling Point | 312.292 °C at 760 mmHg |
Molecular Weight | 167.1836 | Flash Point | 142.669 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl 3-(aminosulfonyl)propanoate; |
The CAS registry number of Propanoic acid, 3-(aminosulfonyl)-, methyl ester is 15441-08-4. This chemical is also named as Methyl 3-(aminosulfonyl)propanoate. In addition, its molecular formula is C4H9NO4S and molecular weight is 167.1836. Its systematic name is called methyl 3-sulfamoylpropanoate.
Physical properties about Propanoic acid, 3-(aminosulfonyl)-, methyl ester are: (1)ACD/LogP: -0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7; (8)ACD/KOC (pH 7.4): 7; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.48; (13)Molar Refractivity: 34.859 cm3; (14)Molar Volume: 122.755 cm3; (15)Surface Tension: 51.127 dyne/cm; (16)Density: 1.362 g/cm3; (17)Flash Point: 142.669 °C; (18)Enthalpy of Vaporization: 55.328 kJ/mol; (19)Boiling Point: 312.292 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCS(N)(=O)=O
(2)InChI: InChI=1/C4H9NO4S/c1-9-4(6)2-3-10(5,7)8/h2-3H2,1H3,(H2,5,7,8)
(3)InChIKey: ICTSDDRYJKMPGS-UHFFFAOYAL