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886759-47-3

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Basic Information
CAS No.: 886759-47-3
Name: 1-Cyclobutyl-1,2,3,4-tetrahydroisoquinoline
Molecular Structure:
Molecular Structure of 886759-47-3 (1-Cyclobutyl-1,2,3,4-tetrahydroisoquinoline)
Formula: C13H17N
Molecular Weight: 187.28
Synonyms: 1-Cyclobutyl-1,2,3,4-tetrahydroisoquinoline;Isoquinoline, 1-cyclobutyl-1,2,3,4-tetrahydro-
Density: 1.058 g/cm3
Boiling Point: 303.733 °C at 760 mmHg
Flash Point: 143.207 °C
PSA: 12.03000
LogP: 3.00230
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Specification

This chemical is called 1-Cyclobutyl-1,2,3,4-tetrahydroisoquinoline, and it can also be named as isoquinoline, 1-cyclobutyl-1,2,3,4-tetrahydro-. With the molecular formula of C13H17N, its molecular weight is 187.28. The CAS registry number of this chemical is 886759-47-3.

Other characteristics of the 1-Cyclobutyl-1,2,3,4-tetrahydroisoquinoline can be summarised as followings: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 12.03 Å2; (7)Index of Refraction: 1.573; (8)Molar Refractivity: 58.266 cm3; (9)Molar Volume: 176.923 cm3; (10)Polarizability: 23.098×10-24cm3; (11)Surface Tension: 42.831 dyne/cm; (12)Density: 1.059 g/cm3; (13)Flash Point: 143.207 °C; (14)Enthalpy of Vaporization: 54.405 kJ/mol; (15)Boiling Point: 303.733 °C at 760 mmHg; (16)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: c1ccc2c(c1)C(NCC2)C3CCC3
2.InChI: InChI=1/C13H17N/c1-2-7-12-10(4-1)8-9-14-13(12)11-5-3-6-11/h1-2,4,7,11,13-14H,3,5-6,8-9H2
3.InChIKey: BZKHQILNYWQRIO-UHFFFAOYAV