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71130-06-8

Basic Information
CAS No.: 71130-06-8
Name: N-(2-((5-((Dimethylamino)methyl)furfuryl)thio)ethyl)-N'-methyl-2-nitrovinylidenediamine monohydrochloride
Molecular Structure:
Molecular Structure of 71130-06-8 (N-(2-((5-((Dimethylamino)methyl)furfuryl)thio)ethyl)-N'-methyl-2-nitrovinylidenediamine monohydrochloride)
Formula: C13H22N4O3S.HCl
Molecular Weight: 350.86
Synonyms: 1,1-Ethenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N'-methyl-2-nitro-, hydrochloride;
EINECS: 275-207-4
Density:
Melting Point:
Boiling Point: 437.1 °C at 760 mmHg
Flash Point: 218.2 °C
Solubility: H2O: 1.8 mg/mL
Appearance: tan solid
Hazard Symbols:
Risk Codes:
Safety: 22-24/25
Transport Information:
PSA: 111.56000
LogP: 3.56600
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    Product name:Ranitidine Hydrochloride CAS No.:71130-06-8 Molecule Formula:C13H22N4O3S·HCl Molecule Weight:350.86 Purity: 99.0% Package: 20kg/drum Description:White to off-white crystalline powder Manufacture Standards:CP/USP

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  • Casno:

    71130-06-8

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  • Casno:

    71130-06-8

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    71130-06-8

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    71130-06-8

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Specification

The N-(2-((5-((Dimethylamino)methyl)furfuryl)thio)ethyl)-N'-methyl-2-nitrovinylidenediamine monohydrochloride is an organic compound with the formula C13H22N4O3S.HCl. The IUPAC name of this chemical is (E)-1-N'-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine hydrochloride. With the CAS registry number 71130-06-8 and EINECS 275-207-4, it is also named as Ranitidine hydrochloride. The product's categories are API; Miscellaneous; Histamine Receptor. It is tan solid which should be sealed in the container and stored in the cool and dry place, away from oxidant. When using it, people should not breathe dust and avoid contact with skin and eyes.

The other characteristics of N-(2-((5-((Dimethylamino)methyl)furfuryl)thio)ethyl)-N'-methyl-2-nitrovinylidenediamine monohydrochloride can be summarized as:(1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.46; (4)ACD/LogD (pH 7.4): 0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 10.13; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 93.98 Å2; (13)Enthalpy of Vaporization: 69.37 kJ/mol; (14)Vapour Pressure: 7.66E-08 mmHg at 25°C; (15)Rotatable Bond Count: 9; (16)Tautomer Count: 2; (17)Exact Mass: 350.117939; (18)MonoIsotopic Mass: 350.117939; (19)Topological Polar Surface Area: 112; (20)Heavy Atom Count: 22; (21)Complexity: 347.

Uses of N-(2-((5-((Dimethylamino)methyl)furfuryl)thio)ethyl)-N'-methyl-2-nitrovinylidenediamine monohydrochloride: It is digestive system drug which is used to reduce gastric acid secretion and promote ulcer healing.

People can use the following data to convert to the molecule structure. 
1. SMILES:Cl.[O-][N+](=O)\C=C(/NC)NCCSCc1oc(cc1)CN(C)C
2. InChI:InChI=1/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H/b13-9+;
3. InChIKey:GGWBHVILAJZWKJ-KJEVSKRMBO
4. Std. InChI:InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H/b13-9+;
5. Std. InChIKey:GGWBHVILAJZWKJ-KJEVSKRMSA-N