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IA 5 methanesulfonate Chemical Properties

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

IA 5 methanesulfonate 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.

IA 5 methanesulfonate Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and SOx.

IA 5 methanesulfonate 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 .

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