Molecule structure of Taurinophenetidine hydrochloride (CAS NO.22103-31-7) :
IUPAC Name: 2-amino-N-(4-ethoxyphenyl)ethanesulfonamide hydrochloride
Molecular Weight: 280.77158 g/mol
Molecular Formula: C10H17ClN2O3S
Boiling Point: 399.1 °C at 760 mmHg
Flash Point: 195.2 °C
Enthalpy of Vaporization: 64.98 kJ/mol
Vapour Pressure: 1.4E-06 mmHg at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 5
Rotatable Bond Count: 6
Exact Mass: 280.064841
MonoIsotopic Mass: 280.064841
Topological Polar Surface Area: 81.4
Heavy Atom Count: 17
Complexity: 279
Canonical SMILES: CCOC1=CC=C(C=C1)NS(=O)(=O)CCN.Cl
InChI: InChI=1S/C10H16N2O3S.ClH/c1-2-15-10-5-3-9(4-6-10)12-16(13,14)8-7-11;/h3-6,12H,2,7-8,11H2,1H3;1H
InChIKey of Taurinophenetidine hydrochloride (CAS NO.22103-31-7) : WINCSHARUGRCPD-UHFFFAOYSA-N
1. | orl-mus LD50:1550 mg/kg | JPMSAE Journal of Pharmaceutical Sciences. 60 (1971),249. | ||
2. | ipr-mus LD50:570 mg/kg | JPMSAE Journal of Pharmaceutical Sciences. 60 (1971),249. | ||
3. | scu-mus LD50:590 mg/kg | JPMSAE Journal of Pharmaceutical Sciences. 60 (1971),249. |
Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits toxic fumes of SOx, NOx, and HCl.
Taurinophenetidine hydrochloride (CAS NO.22103-31-7) is also called 2-Aminoethanesulfono-p-phenetidide hydrochloride ; Ethanesulfono-p-phenetidide, 2-amino-, monohydrochloride .
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