Products Categories
| CAS No.: | 52871-23-5 |
|---|---|
| Name: | N,N-diethyl-2-(5-methyl-2H-thiochromeno[4,3,2-cd]indazol-2-yl)ethanaminium methanesulfonate |
| Molecular Structure: | |
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| Formula: | C20H23N3S•CH4O3S |
| Molecular Weight: | 433.63 |
| Boiling Point: | 502.9°C at 760 mmHg |
| Flash Point: | 257.9°C |
| Safety: | Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and SOx. |
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- Total:2 Page 1 of 1 1
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Chemistry
Product Name: IA 5 methanesulfonate (CAS NO.52871-23-5)
Molecular Formula: C20H23N3S•CH4O3S
Molecular Weight: 433.63g/mol
Mol File: 52871-23-5.mol
Boiling point: 502.9 °C at 760 mmHg
Flash Point: 257.9 °C
Enthalpy of Vaporization: 77.2 kJ/mol
Vapour Pressure: 3.06E-10 mmHg at 25°C
XLogP3-AA:
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of IA 5 methanesulfonate (CAS NO.52871-23-5):
Canonical SMILES: CC[NH+](CC)CCN1C2=C3C(=C(C=C2)C)SC4=CC=CC=C4C3=N1.CS(=O)(=O)[O-]
InChI: InChI=1S/C20H23N3S.CH4O3S/c1-4-22(5-2)12-13-23-16-11-10-14(3)20-18(16)19(21-23)15-8-6-7-9-17(15)24-20;1-5(2,3)4/h6-11H,4-5,12-13H2,1-3H3;1H3,(H,2,3,4)
InChIKey: JNWDJSSCDAZXKF-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | dnd-uns 220 µmol/L | JPETAB Journal of Pharmacology and Experimental Therapeutics. 186 (1973),385. | ||
| 2. | mic-mld-nsc 20 µmol/L | JTEHD6 Journal of Toxicology and Environmental Health. 1 (1975),271. | ||
| 3. | msc-mus-lym 20 µmol/L | MUREAV Mutation Research. 26 (1974),307. |
Safety Profile
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and SOx.
Specification
IA 5 methanesulfonate ,its CAS NO. is 52871-23-5,the synonyms is 2H-(1)Benzothiopyrano(4,3,2-cd)indazole-2-ethanamine, N,N-
diethyl-5-methyl-, monomethanesulfonate ; IA 5 .