Basic Information | Post buying leads | Suppliers |
Name |
Almotriptan metabolite M2 |
EINECS | N/A |
CAS No. | 603137-41-3 | Density | 1.304 g/cm3 |
PSA | 110.88000 | LogP | 3.02790 |
Solubility | N/A | Melting Point |
N/A |
Formula | C17H25N3O4S | Boiling Point | 627.9 °C at 760 mmHg |
Molecular Weight | 367.16 | Flash Point | 333.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methylsulfonylamino]butanoic acid; |
The CAS registry number of Butanoic acid,4-[[[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]sulfonyl]amino]- is 603137-41-3. In addition, the molecular formula is C17H25N3O4S and the molecular weight is 367.16. Its systematic name is 4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methylsulfonylamino]butanoic acid.
Physical properties about Butanoic acid,4-[[[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]sulfonyl]amino]- are: (1)ACD/LogP: 0.69; (2)#H bond acceptors: 7; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 9; (5)Polar Surface Area: 110.88 Å2; (6)Index of Refraction: 1.611; (7)Molar Refractivity: 97.9 cm3; (8)Molar Volume: 281.7 cm3; (9)Polarizability: 38.81 ×10-24cm3; (10)Surface Tension: 59.1 dyne/cm; (11)Density: 1.304 g/cm3; (12)Flash Point: 333.5 °C; (13)Enthalpy of Vaporization: 97.67 kJ/mol; (14)Boiling Point: 627.9 °C at 760 mmHg; (15)Vapour Pressure: 1.25E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CN(C)CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)NCCCC(=O)O
(2)Std. InChI: InChI=1S/C17H25N3O4S/c1-20(2)9-7-14-11-18-16-6-5-13(10-15(14)16)12-25(23,24)19-8-3-4-17(21)22/h5-6,10-11,18-19H,3-4,7-9,12H2,1-2H3,(H,21,22)
(3)Std. InChIKey: KEZMLSBXUODFOL-UHFFFAOYSA-N