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CAS No.: | 885268-42-8 |
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Name: | tert-butyl 2,7-diazaspiro[4.5]decane-2-carboxylate |
Molecular Structure: | |
Formula: | C13H24N2O2 |
Molecular Weight: | 240.346 |
Synonyms: | TERT-BUTYL 2,7-DIAZASPIRO[4.5]DECANE-2-CARBOXYLATE;2-Boc-2,7-diazaspiro[4.5]decane;2-Boc-2,7-diazaspiro[4.5]decane oxalate;2,7-Diazaspiro[4.5]decane-2-carboxylic acid, 1,1-diMethylethyl ester;2-Boc-2,7-diazaspiro[4.5]...;2,7-Diazaspiro[4.5]decane-2-carboxylic acid tert-butyl ester |
Density: | 1.07 g/cm3 |
Boiling Point: | 337 °C at 760 mmHg |
Flash Point: | 157.6 °C |
Risk Codes: | 52 |
PSA: | 41.57000 |
LogP: | 2.26370 |
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This chemical is called tert-Butyl 2,7-diazaspiro[4.5]decane-2-carboxylate, and it can also be named as 2,7-diazaspiro[4.5]decane-2-carboxylic acid, 1,1-dimethylethyl ester. With the molecular formula of C13H24N2O2, its molecular weight is 240.34. The CAS registry number of this chemical is 885268-42-8.
Other characteristics of the tert-Butyl 2,7-diazaspiro[4.5]decane-2-carboxylate can be summarised as followings: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 41.57 Å2; (7)Index of Refraction: 1.514; (8)Molar Refractivity: 67.55 cm3; (9)Molar Volume: 224 cm3; (10)Polarizability: 26.78×10-24cm3; (11)Surface Tension: 40.2 dyne/cm; (12)Density: 1.07 g/cm3; (13)Flash Point: 157.6 °C; (14)Enthalpy of Vaporization: 58.02 kJ/mol; (15)Boiling Point: 337 °C at 760 mmHg; (16)Vapour Pressure: 0.000108 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CC(C)(C)OC(=O)N2CCC1(CCCNC1)C2
2.InChI: InChI=1/C13H24N2O2/c1-12(2,3)17-11(16)15-8-6-13(10-15)5-4-7-14-9-13/h14H,4-10H2,1-3H3
3.InChIKey: OGAFPCPHUIPWEO-UHFFFAOYAS