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CAS No.: | 189333-49-1 |
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Name: | 3-BENZYL-3,9-DIAZA-SPIRO[5.5]UNDECANE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C16H24N2 |
Molecular Weight: | 244.38 |
Synonyms: | NSC 116047; |
Density: | 1.057 g/cm3 |
Boiling Point: | 357.738 °C at 760 mmHg |
Flash Point: | 135.985 °C |
PSA: | 15.27000 |
LogP: | 2.91890 |
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The 3-Benzyl-3,9-diazaspiro[5.5]undecane, with the CAS registry number 189333-49-1, is also known as 3,9-Diazaspiro[5.5]undecane, 3-(phenylmethyl)-. This chemical's molecular formula is C16H24N2 and molecular weight is 244.38. What's more, its systematic name is 3-Benzyl-3,9-diazaspiro[5.5]undecane.
Physical properties of 3-Benzyl-3,9-diazaspiro[5.5]undecane are: (1)ACD/LogP: 2.359; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.74; (4)ACD/LogD (pH 7.4): -1.61; (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): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 15.27 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 76.515 cm3; (15)Molar Volume: 231.217 cm3; (16)Polarizability: 30.333×10-24cm3; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 1.057 g/cm3; (19)Flash Point: 135.985 °C; (20)Enthalpy of Vaporization: 60.314 kJ/mol; (21)Boiling Point: 357.738 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N3CCC1(CCN(CC1)Cc2ccccc2)CC3
(2)Std. InChI: InChI=1S/C16H24N2/c1-2-4-15(5-3-1)14-18-12-8-16(9-13-18)6-10-17-11-7-16/h1-5,17H,6-14H2
(3)Std. InChIKey: DKRVXLMWXJFVEJ-UHFFFAOYSA-N