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Benzenesulfonylchloride, 4-[[[bis(2-methoxyethyl)amino]carbonyl]amino]-

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Name

Benzenesulfonylchloride, 4-[[[bis(2-methoxyethyl)amino]carbonyl]amino]-

EINECS N/A
CAS No. 680185-48-2 Density 1.34 g/cm3
PSA 93.32000 LogP 2.89460
Solubility N/A Melting Point N/A
Formula C13H19ClN2O5S Boiling Point 518.1 °C at 760 mmHg
Molecular Weight 350.82 Flash Point 267.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 680185-48-2 (4-[3,3-Bis(2-methoxyethyl)ureido]benzenesulfonyl chloride) Hazard Symbols N/A
Synonyms

4-[3,3-Bis(2-methoxyethyl)ureido]benzenesulfonyl chloride;

 

Benzenesulfonylchloride, 4-[[[bis(2-methoxyethyl)amino]carbonyl]amino]- Specification

This chemical is called Benzenesulfonylchloride, 4-[[[bis(2-methoxyethyl)amino]carbonyl]amino]-, and its systematic name is 4-{[Bis(2-methoxyethyl)carbamoyl]amino}benzenesulfonyl chloride. With the molecular formula of C13H19ClN2O5S, its molecular weight is 350.82. The CAS registry number of the chemical is 680185-48-2. 

Other characteristics of Benzenesulfonylchloride, 4-[[[bis(2-methoxyethyl)amino]carbonyl]amino]- can be summarised as followings: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 7.73; (6)ACD/BCF (pH 7.4): 7.73; (7)ACD/KOC (pH 5.5): 150.42; (8)ACD/KOC (pH 7.4): 150.41; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 84.53 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 83.94 cm3; (15)Molar Volume: 261.6 cm3; (16)Polarizability: 33.27×10-24cm3; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 267.1 °C; (20)Enthalpy of Vaporization: 79.05 kJ/mol; (21)Boiling Point: 518.1 °C at 760 mmHg; (22)Vapour Pressure: 7.75E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=S(Cl)(=O)c1ccc(NC(=O)N(CCOC)CCOC)cc1
2.InChI: InChI=1/C13H19ClN2O5S/c1-20-9-7-16(8-10-21-2)13(17)15-11-3-5-12(6-4-11)22(14,18)19/h3-6H,7-10H2,1-2H3,(H,15,17)
3.InChIKey: KJQBIEGSQVUCFA-UHFFFAOYAN
4.Std. InChI: InChI=1S/C13H19ClN2O5S/c1-20-9-7-16(8-10-21-2)13(17)15-11-3-5-12(6-4-11)22(14,18)19/h3-6H,7-10H2,1-2H3,(H,15,17)
5.Std. InChIKey: KJQBIEGSQVUCFA-UHFFFAOYSA-N

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