CAS No.177793-81-6,N-(1-azabicyalo[2,2,2]oct-3S-yl)-1,2,3,4-tetrahydronaphthalen-1S-ylcarboxamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	177793-81-6
Name:	N-(1-azabicyalo[2,2,2]oct-3S-yl)-1,2,3,4-tetrahydronaphthalen-1S-ylcarboxamine
Article Data:	6

Formula:	C₁₈H₂₄N₂O
Molecular Weight:	284.40
Synonyms:	N-1-Azabicyclo[2.2.2]oct-3-yl-1,2,3,4-tetrahydro-1-naphthalenecarboxamide;
Density:	1.171 g/cm³
Boiling Point:	495.26 °C at 760 mmHg
Flash Point:	253.324 °C
PSA:	32.34000
LogP:	2.64570

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Specification

The N-(1-Azabicyalo[2,2,2]oct-3S-yl)-1,2,3,4-tetrahydronaphthalen-1S-ylcarboxamine, with the CAS registry number 177793-81-6, is also known as 1-Naphthalenecarboxamide, N-1-azabicyclo[2.2.2]oct-3S-yl-1,2,3,4-tetrahydro-. This chemical's molecular formula is C₁₈H₂₄N₂O and molecular weight is 284.40. What's more, its systematic name is N-(1-azabicyalo[2,2,2]oct-3S-yl)-1,2,3,4-tetrahydronaphthalen-1S-ylcarboxamine.

Physical properties of N-(1-Azabicyalo[2,2,2]oct-3S-yl)-1,2,3,4-tetrahydronaphthalen-1S-ylcarboxamine are: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.44; (4)ACD/LogD (pH 7.4): 0.53; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 5.25; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.34 Å²; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 83.769 cm³; (15)Molar Volume: 242.875 cm³; (16)Polarizability: 33.209×10^-24cm³; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.171 g/cm³; (19)Flash Point: 253.324 °C; (20)Enthalpy of Vaporization: 76.277 kJ/mol; (21)Boiling Point: 495.26 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC2CN1CCC2CC1)C4CCCc3ccccc34
(2)Std. InChI: InChI=1S/C18H24N2O/c21-18(19-17-12-20-10-8-14(17)9-11-20)16-7-3-5-13-4-1-2-6-15(13)16/h1-2,4,6,14,16-17H,3,5,7-12H2,(H,19,21)
(3)Std. InChIKey: KOAZNWLKDYIEHQ-UHFFFAOYSA-N