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340018-25-9

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Basic Information
CAS No.: 340018-25-9
Name: N1-(1,1-DIOXO-1H-1LAMBDA6-BENZO[D]ISOTHIAZOL-3-YL)-ETHANE-1,2-DIAMINE
Article Data: 1
Molecular Structure:
Molecular Structure of 340018-25-9 (N1-(1,1-DIOXO-1H-1LAMBDA6-BENZO[D]ISOTHIAZOL-3-YL)-ETHANE-1,2-DIAMINE)
Formula: C9H12N3O2S
Molecular Weight: 225.271
Synonyms: 1,2-Ethanediamine,N-(1,1-dioxido-1,2-benzisothiazol-3-yl)- (9CI);
Boiling Point: 434.3 °C at 760 mmHg
Flash Point: 216.4 °C
Hazard Symbols: Xi
PSA: 92.93000
LogP: 1.29140
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Specification

The 1, 2-Ethanediamine, N1-(1, 1-dioxido-1, 2-benzisothiazol-3-yl)-, with the CAS registry number of 340018-25-9, is also known as 1, 2-Ethanediamine, N-(1, 1-dioxido-1, 2-benzisothiazol-3-yl)- (9CI). This chemical's molecular formula is C9H12N3O2S and molecular weight is 226.2749. What's more, its IUPAC name is 2-[(1, 1-Dioxo-1, 2-benzothiazol-3-yl)amino]ethylazanium.

Physical properties about 1, 2-Ethanediamine, N1-(1, 1-dioxido-1, 2-benzisothiazol-3-yl)- are: (1)ACD/LogP: -0.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 58.12 Å2; (7)Flash Point: 216.4 °C; (8)Enthalpy of Vaporization: 69.04 kJ/mol; (9)Boiling Point: 434.3 °C at 760 mmHg; (10)Vapour Pressure: 9.59E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S2(=O)/N=C(\c1ccccc12)NCC[NH3+]
(2) InChI: InChI=1/C9H11N3O2S/c10-5-6-11-9-7-3-1-2-4-8(7)15(13,14)12-9/h1-4H,5-6,10H2,(H,11,12)/p+1
(3) InChIKey: VJWYGEVHEKWEQZ-IKLDFBCSAE