Org 27569 supplier | CasNO.868273-06-7

Name
5-chloro-3-ethyl-1H-indole-2-carboxylic acid [2-(4-piperidin-1-yl-phenyl)-ethyl]-amide
EINECS 278-169-7
CAS No. 868273-06-7
Article Data2
CAS DataBase
Density 1.218
Solubility
Melting Point
Formula C₂₄H₂₈ Cl N₃O
Boiling Point 660.3 ºC at 760 mmHg
Molecular Weight 409.959
Flash Point 353.2 ºC
Transport Information
Appearance
Safety Hazard Codes Xn
Risk Statements 22
Risk Codes 22
Molecular Structure
Hazard Symbols
Synonyms Org 27569;
PSA 48.13000
LogP 5.80240

Org 27569 Specification

1H-Indole-2-carboxamide,5-chloro-3-ethyl-N-[2-[4-(1-piperidinyl)phenyl]ethyl]-, with its cas registry number 868273-06-7, has its systematic name of 5-chloro-3-ethyl-N-[2-[4-(1-piperidyl)phenyl]ethyl]-1H-indole-2-carboxamide.

The physical properties of this chemical are as follows: (1)ACD/LogP: 6.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.88; (4)ACD/LogD (pH 7.4): 6.35; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 48.13; (9)Index of Refraction: 1.635; (10)Molar Refractivity: 120.53 cm³; (11)Molar Volume: 336.4 cm³; (12)Polarizability: 47.78 ×10^-24 cm³; (13)Surface Tension: 53 dyne/cm; (14)Density: 1.218 g/cm³; (15)Flash Point: 353.2 °C; (16)Enthalpy of Vaporization: 97.17 kJ/mol; (17)Boiling Point: 660.3 °C at 760 mmHg; (18)Vapour Pressure: 2.61E-17 mmHg at 25°C.

When you are dealing with this chemical, please be cautious. Being a kind of harmful chemical, it may may cause damage to health. And if swallowed, it will be very dangerous. Therefore, you should wear suitable protective clothing and eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:CCc1c2cc(ccc2[nH]c1C(=O)NCCc3ccc(cc3)N4CCCCC4)Cl
(2)InChI:InChI=1/C24H28ClN3O/c1-2-20-21-16-18(25)8-11-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28/h6-11,16,27H,2-5,12-15H2,1H3,(H,26,29)
(3)InChIKey:AHFZDNYNXFMRFQ-UHFFFAOYAV

Product Name

5-chloro-3-ethyl-1H-indole-2-carboxylic acid [2-(4-piperidin-1-yl-phenyl)-ethyl]-amide

Org 27569 Specification

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Hazard Codes	Xn
Risk Statements	22