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CAS No.: | 336191-15-2 |
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Name: | 8-BENZYL-2,8-DIAZA-SPIRO[4.5]DECANE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C15H22N2 |
Molecular Weight: | 230.353 |
Synonyms: | 8-Benzyl-2,8-diazaspiro[4.5]decane;8-Benzyl-3,8-diazaspiro[4.5]decane; |
Density: | 1.072 g/cm3 |
Boiling Point: | 340.843 °C at 760 mmHg |
Flash Point: | 134.103 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 15.27000 |
LogP: | 2.52880 |
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The 2,8-Diazaspiro[4.5]decane,8-(phenylmethyl)-, with the CAS registry number 336191-15-2, is also known as 8-Benzyl-2,8-diazaspiro[4.5]decane. This chemical's molecular formula is C15H22N2 and molecular weight is 230.35. What's more, its systematic name is 8-benzyl-3,8-diazaspiro[4.5]decane.
Physical properties of 2,8-Diazaspiro[4.5]decane,8-(phenylmethyl)- are: (1)ACD/LogP: 2.18; (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: C1CNCC12CCN(CC2)CC3=CC=CC=C3
(2)InChI: InChI=1S/C15H22N2/c1-2-4-14(5-3-1)12-17-10-7-15(8-11-17)6-9-16-13-15/h1-5,16H,6-13H2
(3)InChIKey: MDBVTGGHEWEATH-UHFFFAOYSA-N