6-Chloro-3-indolyl-beta-D-glucuronic acid cyclohexylammonium salt supplier

Name
6-CHLORO-3-INDOLYL-BETA-D-GLUCURONIDE CYCLOHEXYLAMMONIUM SALT
EINECS 1533716-785-6
CAS No. 138182-20-4
Density
Solubility
Melting Point
Formula C₁₄H₁₄ClNO₇^.C₆H₁₃N
Boiling Point 728.3 °C at 760 mmHg
Molecular Weight 442.8906
Flash Point 394.2 °C
Transport Information
Appearance off-white to light yellowish crystalline powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (2S,3S,4S,5R,6S)-6-[(6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxy-oxane-2-carboxylate;6-CHLORO-3-INDOLYL-BETA-D-GLUCURONIDE CYCLOHEXYLAMMONIUM SALT;cyclohexanamine - 6-chloro-1H-indol-3-yl β-D-glucopyranosiduronic acid (1:1);
PSA 158.26000
LogP 2.07040

6-Chloro-3-indolyl-beta-D-glucuronic acid cyclohexylammonium salt Specification

The 6-Chloro-3-indolyl-beta-D-glucuronic acid cyclohexylammonium salt with the CAS number 138182-20-4 is also called (2S,3S,4S,5R,6S)-6-[(6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxy-oxane-2-carboxylate. The systematic name is cyclohexanamine - 6-chloro-1H-indol-3-yl β-D-glucopyranosiduronic acid (1:1). Its molecular formula is C₁₄H₁₄ClNO₇^.C₆H₁₃N. This chemical should be stored at 2-8°C.

The properties of the 6-Chloro-3-indolyl-beta-D-glucuronic acid cyclohexylammonium salt are: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 9; (4)#H bond donors: 7; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 80.62Å²; (7)Enthalpy of Vaporization: 111.6 kJ/mol; (8)Vapour Pressure: 2.91×10^-22 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3cc2c(c(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)cn2)cc3.NC1CCCCC1
(2)InChI: InChI=1/C14H14ClNO7.C6H13N/c15-5-1-2-6-7(3-5)16-4-8(6)22-14-11(19)9(17)10(18)12(23-14)13(20)21;7-6-4-2-1-3-5-6/h1-4,9-12,14,16-19H,(H,20,21);6H,1-5,7H2/t9-,10-,11+,12-,14+;/m0./s1
(3)InChIKey: CGXWVPSZSVEFAI-CYRSAHDMBB

Product Name

6-CHLORO-3-INDOLYL-BETA-D-GLUCURONIDE CYCLOHEXYLAMMONIUM SALT

6-Chloro-3-indolyl-beta-D-glucuronic acid cyclohexylammonium salt Specification

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