(R)-N-Acetyl-5-bromo-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole supplier

Name
(R)-N-Acetyl-5-bromo-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole
EINECS
CAS No. 205369-12-6
Article Data6
CAS DataBase
Density 1.43g/cm³
Solubility
Melting Point
Formula C₁₆H₁₉BrN₂O
Boiling Point 424.416 °C at 760 mmHg
Molecular Weight 335.244
Flash Point 210.479 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(5-Brom-3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-1H-indol-1-yl)ethanon;
PSA 25.24000
LogP 3.63850

(R)-N-Acetyl-5-bromo-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole Specification

The (R)-N-Acetyl-5-bromo-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole, with CAS registry number 205369-12-6, has the systematic name of 1-acetyl-5-bromo-3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-1H-indole. And it is also called ethanone, 1-[5-bromo-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-1H-indol-1-yl]-.

Physical properties about this chemical are: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 25.24 Å²; (7)Index of Refraction: 1.641; (8)Molar Refractivity: 84.586 cm³; (9)Molar Volume: 234.348 cm³; (10)Polarizability: 33.532×10^-24cm³; (11)Surface Tension: 45.95 dyne/cm; (12)Enthalpy of Vaporization: 67.89 kJ/mol; (13)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc3ccc1c(c(cn1C(=O)C)C[C@@H]2N(C)CCC2)c3
(2)InChI: InChI=1/C16H19BrN2O/c1-11(20)19-10-12(8-14-4-3-7-18(14)2)15-9-13(17)5-6-16(15)19/h5-6,9-10,14H,3-4,7-8H2,1-2H3/t14-/m1/s1
(3)InChIKey: PIIFSFIOOCHDIK-CQSZACIVBX
(4)Std. InChI: InChI=1S/C16H19BrN2O/c1-11(20)19-10-12(8-14-4-3-7-18(14)2)15-9-13(17)5-6-16(15)19/h5-6,9-10,14H,3-4,7-8H2,1-2H3/t14-/m1/s1
(5)Std. InChIKey: PIIFSFIOOCHDIK-CQSZACIVSA-N

Product Name

(R)-N-Acetyl-5-bromo-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole

(R)-N-Acetyl-5-bromo-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole Specification

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