Basic Information | Post buying leads | Suppliers |
Name |
6-Chloro-3-indolyl-beta-D-glucuronic acid cyclohexylammonium salt |
EINECS | 1533716-785-6 |
CAS No. | 138182-20-4 | Density | N/A |
PSA | 158.26000 | LogP | 2.07040 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H14ClNO7.C6H13N | Boiling Point | 728.3 °C at 760 mmHg |
Molecular Weight | 442.8906 | Flash Point | 394.2 °C |
Transport Information | N/A | 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); |
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