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431981-28-1

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Basic Information
CAS No.: 431981-28-1
Name: N-CYCLOPENTYL-2-(3-FORMYL-INDOL-1-YL)-ACETAMIDE
Molecular Structure:
Molecular Structure of 431981-28-1 (N-CYCLOPENTYL-2-(3-FORMYL-INDOL-1-YL)-ACETAMIDE)
Formula: C16H18N2O2
Molecular Weight: 270.3263
Synonyms: BAS 03385388;
Density: 1.25 g/cm3
Boiling Point: 540.2 °C at 760 mmHg
Flash Point: 280.5 °C
Hazard Symbols: IrritantXi
PSA: 51.10000
LogP: 2.90350
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  • 1H-Indole-1-acetamide,N-cyclopentyl-3-formyl-

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  • N-cyclopentyl-2-(3-formylindol-1-yl)acetamide

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    N-cyclopentyl-2-(3-formylindol-1-yl)acetamide

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Specification

The 1H-Indole-1-acetamide,N-cyclopentyl-3-formyl-, with the CAS registry number 431981-28-1, is also known as BAS 03385388. This chemical's molecular formula is C16H18N2O2 and molecular weight is 270.33. Its IUPAC name is called N-cyclopentyl-2-(3-formylindol-1-yl)acetamide. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. 

Physical properties of 1H-Indole-1-acetamide,N-cyclopentyl-3-formyl-: (1)ACD/LogP: 2.11; (2)ACD/LogD (pH 5.5): 2.11; (3)ACD/LogD (pH 7.4): 2.11; (4)ACD/BCF (pH 5.5): 23.64; (5)ACD/BCF (pH 7.4): 23.64; (6)ACD/KOC (pH 5.5): 334.89; (7)ACD/KOC (pH 7.4): 334.89; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.639; (12)Molar Refractivity: 77.35 cm3; (13)Molar Volume: 214.7 cm3; (14)Surface Tension: 50.6 dyne/cm; (15)Density: 1.25 g/cm3; (16)Flash Point: 280.5 °C; (17)Enthalpy of Vaporization: 81.78 kJ/mol; (18)Boiling Point: 540.2 °C at 760 mmHg; (19)Vapour Pressure: 9.74E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC(C1)NC(=O)CN2C=C(C3=CC=CC=C32)C=O
(2)InChI: InChI=1S/C16H18N2O2/c19-11-12-9-18(15-8-4-3-7-14(12)15)10-16(20)17-13-5-1-2-6-13/h3-4,7-9,11,13H,1-2,5-6,10H2,(H,17,20)
(3)InChIKey: FEEHNBPNHNGVQC-UHFFFAOYSA-N