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199433-58-4

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Basic Information
CAS No.: 199433-58-4
Name: (R)-4-(1-Aminoethyl)-N-1H-pyrrolo[2,3-b]pyridin-4-ylbenzamide
Article Data: 7
Molecular Structure:
Molecular Structure of 199433-58-4 ((R)-4-(1-Aminoethyl)-N-1H-pyrrolo[2,3-b]pyridin-4-ylbenzamide)
Formula: C16H16N4O
Molecular Weight: 280.32
Synonyms: Y 33075;Y 39983;Y39983;Y33075;Y 39983;(R)-4-(1-Aminoethyl)-N-1H-pyrrolo[2,3-b]pyridin-4-ylbenzamide;4-[(1R)-1-Aminoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;Benzamide, 4-[(1R)-1-aminoethyl]-N-1H-pyrrolo[2,3-b]pyridin-4-yl-;(R)-4-(1-Aminoethyl)-N-1H-pyrrolo[2,3-b]pyridin-4-ylbenzamide ISO 9001：2015 REACH
Density: 1.327 g/cm3
Boiling Point: 444.644 °C at 760 mmHg
Flash Point: 222.713 °C
PSA: 83.80000
LogP: 3.60820
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Specification

The (R)-4-(1-Aminoethyl)-N-1H-pyrrolo[2,3-b]pyridin-4-ylbenzamide is an organic compound with the formula C16H16N4O. The systematic name of this chemical is 4-(1-aminoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide. With the CAS registry number 199433-58-4, it is also named as Y 33075.

Physical properties about (R)-4-(1-Aminoethyl)-N-1H-pyrrolo[2,3-b]pyridin-4-ylbenzamide are: (1)ACD/LogP: 2.15; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 3; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 83.8 Å2; (10)Index of Refraction: 1.73; (11)Molar Refractivity: 84.283 cm3; (12)Molar Volume: 211.209 cm3; (13)Polarizability: 33.412×10-24cm3; (14)Surface Tension: 69.019 dyne/cm; (15)Density: 1.327 g/cm3; (16)Flash Point: 222.713 °C; (17)Enthalpy of Vaporization: 70.25 kJ/mol; (18)Boiling Point: 444.644 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(N)c1ccc(cc1)C(=O)Nc2ccnc3nccc23
(2)InChI: InChI=1/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)
(3)InChIKey: JTVBXQAYBIJXRP-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)
(5)Std. InChIKey: JTVBXQAYBIJXRP-UHFFFAOYSA-N