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Basic Information
CAS No.: 1086395-71-2
Name: 2-benzyl-2,7-diazaspiro[4.5]decane
Molecular Structure:
Molecular Structure of 1086395-71-2 (2-benzyl-2,7-diazaspiro[4.5]decane)
Formula: C15H22N2
Molecular Weight: 230.35
Synonyms: 3-Benzyl-3,9-diazaspiro[4.5]decane;2-Benzyl-2,7-diazaspiro[4.5]decane;
Density: 1.072 g/cm3
Boiling Point: 340.843 °C at 760 mmHg
Flash Point: 134.103 °C
PSA: 15.27000
LogP: 2.52880
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Specification

The 2,7-Diazaspiro[4.5]decane, 2-(phenylmethyl)-, with the CAS registry number 1086395-71-2, is also known as 2-Benzyl-2,7-diazaspiro[4.5]decane. This chemical's molecular formula is C15H22N2 and molecular weight is 230.35. What's more, its systematic name is 3-benzyl-3,9-diazaspiro[4.5]decane.

Physical properties of 2,7-Diazaspiro[4.5]decane, 2-(phenylmethyl)- are: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 15.27 Å2; (11)Index of Refraction: 1.584; (12)Molar Refractivity: 71.884 cm3; (13)Molar Volume: 214.915 cm3; (14)Polarizability: 28.497×10-24cm3; (15)Surface Tension: 44.842 dyne/cm; (16)Density: 1.072 g/cm3; (17)Flash Point: 134.103 °C; (18)Enthalpy of Vaporization: 58.444 kJ/mol; (19)Boiling Point: 340.843 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC2(CCN(C2)CC3=CC=CC=C3)CNC1
(2)InChI: InChI=1S/C15H22N2/c1-2-5-14(6-3-1)11-17-10-8-15(13-17)7-4-9-16-12-15/h1-3,5-6,16H,4,7-13H2
(3)InChIKey: YLMCYUHQYITSIZ-UHFFFAOYSA-N