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CAS No.: | 960294-14-8 |
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Name: | 1-BOC-1,7-DIAZA-SPIRO[4.5]DECANE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C13H24N2O2 |
Molecular Weight: | 240.346 |
Synonyms: | 2-Methyl-2-propanyl 1,7-diazaspiro[4.5]decane-1-carboxylate; |
Density: | 1.073 g/cm3 |
Boiling Point: | 337.028 °C at 760 mmHg |
Flash Point: | 157.629 °C |
PSA: | 41.57000 |
LogP: | 2.40620 |
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The tert-Butyl-1,7-diazaspiro[4.5]decan-1-carboxylat, with the CAS registry number 960294-14-8, is also known as 1-Boc-1,7-diaza-spiro[4.5]decane. This chemical's molecular formula is C13H24N2O2 and molecular weight is 240.18. What's more, its systematic name is called 2-Methyl-2-propanyl 1,7-diazaspiro[4.5]decane-1-carboxylate.
Physical properties about tert-Butyl-1,7-diazaspiro[4.5]decan-1-carboxylat are: (1)ACD/LogP: 1.592; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.48; (4)ACD/LogD (pH 7.4): -0.75; (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: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.57 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 67.558 cm3; (15)Molar Volume: 224.07 cm3; (16)Polarizability: 26.782×10-24cm3; (17)Surface Tension: 40.244 dyne/cm; (18)Density: 1.073 g/cm3; (19)Flash Point: 157.629 °C; (20)Enthalpy of Vaporization: 58.024 kJ/mol; (21)Boiling Point: 337.028 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N1CCCC12CCCNC2
(2) InChI: InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-5-7-13(15)6-4-8-14-10-13/h14H,4-10H2,1-3H3
(3) InChIKey: DVVJBQZUAYJBAX-UHFFFAOYSA-N