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174657-48-8

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Basic Information
CAS No.: 174657-48-8
Name: 2-(2,3-diphenyl-4H-pyrrolo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine sulfate
Molecular Structure:
Molecular Structure of 174657-48-8 (2-(2,3-diphenyl-4H-pyrrolo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine sulfate)
Formula: C28H31N3O4S
Molecular Weight: 505.6284
Synonyms: N,N-Diethyl-2,3-diphenyl-4H-pyrrolo(1,2-a)benzimidazole-4-ethanamine sulfate (1:1);
Boiling Point: 529.6 °C at 760 mmHg
Flash Point: 274.1 °C
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  • 4H-Pyrrolo(1,2-a)benzimidazole-4-ethanamine, N,N-diethyl-2,3-diphenyl-, sulfate (1:1)

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    174657-48-8

    4H-Pyrrolo(1,2-a)benzimidazole-4-ethanamine, N,N-diethyl-2,3-diphenyl-, sulfate (1:1)

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    Henan Wentao Chemical Product Co.,Ltd is Located in Zhengzhou High-tech Development Zone with import and export license, We passed ISO 9001:2008 as well, Henan Wentao has developed more than 1000 compounds, which are widely used in the fields of prod

    The company is Located in Zhengzhou High-tech Development Zone with import and export license, We passed ISO 9001:2008 as well, Henan Wentao has developed more than 1000 compounds,

  •  Henan Wentao Chemical Product Co., Ltd.

     China (Mainland)  |  Contact Details

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    Tel:+86-370-2722992

    Address:32 Room, 5th Floor, Building 11, No. 6 Yinxing Road, High-tech Industrial Development Zone, Zhengzhou City, Henan Province

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  • 4H-Pyrrolo(1,2-a)benzimidazole-4-ethanamine, N,N-diethyl-2,3-diphenyl-, sulfate (1:1)

  • Casno:

    174657-48-8

    4H-Pyrrolo(1,2-a)benzimidazole-4-ethanamine, N,N-diethyl-2,3-diphenyl-, sulfate (1:1)

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

    We are a team of industry experts, dedicated to delivering the best chemical solutions from quality suppliers across China. Putting our customers first, we take a holistic approach

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Specification

The 4H-Pyrrolo(1,2-a)benzimidazole-4-ethanamine, N,N-diethyl-2,3-diphenyl-, sulfate (1:1), with CAS registry number 174657-48-8, has the systematic name of 2-(2,3-diphenyl-4H-pyrrolo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine sulfate. Its classification code is Drug / Therapeutic Agent. And the chemical formula of this chemical is C28H31N3O4S.

Physical properties of 4H-Pyrrolo(1,2-a)benzimidazole-4-ethanamine, N,N-diethyl-2,3-diphenyl-, sulfate (1:1): (1)ACD/LogP: 7.70; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 12.58 Å2; (7)Flash Point: 274.1 °C; (8)Enthalpy of Vaporization: 80.47 kJ/mol; (9)Boiling Point: 529.6 °C at 760 mmHg; (10)Vapour Pressure: 2.66E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)O.c1c2c(ccc1)n(c3c(c(cn23)c4ccccc4)c5ccccc5)CCN(CC)CC
(2)InChI: InChI=1/C28H29N3.H2O4S/c1-3-29(4-2)19-20-30-25-17-11-12-18-26(25)31-21-24(22-13-7-5-8-14-22)27(28(30)31)23-15-9-6-10-16-23;1-5(2,3)4/h5-18,21H,3-4,19-20H2,1-2H3;(H2,1,2,3,4)
(3)InChIKey: ZIYMNQJIANGXBZ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C28H29N3.H2O4S/c1-3-29(4-2)19-20-30-25-17-11-12-18-26(25)31-21-24(22-13-7-5-8-14-22)27(28(30)31)23-15-9-6-10-16-23;1-5(2,3)4/h5-18,21H,3-4,19-20H2,1-2H3;(H2,1,2,3,4)
(5)Std. InChIKey: ZIYMNQJIANGXBZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 475mg/kg (475mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 22, 1996.