Products Categories
CAS No.: | 954240-14-3 |
---|---|
Name: | tert-Butyl 2,8-diazaspiro[5.5]undecane-2-carboxylate |
Molecular Structure: | |
Formula: | C14H26N2O2 |
Molecular Weight: | 254.37 |
Synonyms: | 2,8-Diazaspiro[5.5]undecane-2-carboxylicacid1,1-dimethylethylester; |
Density: | 1.058 g/cm3 |
Boiling Point: | 354.137 °C at 760 mmHg |
Flash Point: | 167.977 °C |
PSA: | 41.57000 |
LogP: | 2.65380 |
What can I do for you?
Get Best Price
The tert-Butyl 2,8-diazaspiro[5.5]undecane-2-carboxylate, with the CAS registry number 954240-14-3, is also known as 2,8-Diazaspiro[5.5]undecane-2-carboxylic acid, 1,1-dimethylethyl ester. This chemical's molecular formula is C14H26N2O2 and molecular weight is 254.37. What's more, its systematic name is called 2-Methyl-2-propanyl 2,8-diazaspiro[5.5]undecane-2-carboxylate.
Physical properties about tert-Butyl 2,8-diazaspiro[5.5]undecane-2-carboxylate are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.12; (4)ACD/LogD (pH 7.4): -1.00; (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: 1.512; (14)Molar Refractivity: 72.189 cm3; (15)Molar Volume: 240.372 cm3; (16)Polarizability: 28.61×10-24cm3; (17)Surface Tension: 39.983 dyne/cm; (18)Density: 1.058 g/cm3; (19)Flash Point: 167.977 °C; (20)Enthalpy of Vaporization: 59.914 kJ/mol; (21)Boiling Point: 354.137 °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)N1CCCC2(C1)CCCNC2
(2) InChI: InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-9-5-7-14(11-16)6-4-8-15-10-14/h15H,4-11H2,1-3H3
(3) InChIKey: ZDKVVQZKWMSQDY-UHFFFAOYSA-N