Name: 1,8-DIAZA-SPIRO[4.5]DECANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
SKU: 885279-92-5

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Basic Information

Molecular Structure:
CAS No.:	885279-92-5
Name:	1,8-DIAZA-SPIRO[4.5]DECANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Formula:	C₁₃H₂₄N₂O₂
Molecular Weight:	240.346
Synonyms:	tert-Butyl1,8-diazaspiro[4.5]decane-1-carboxylate;tert-Butyl 4,8-diazaspiro[4.5]decane-4-carboxylate;
Density:	1.07 g/cm³
Boiling Point:	337 °C at 760 mmHg
Flash Point:	157.6 °C
PSA:	41.57000
LogP:	2.40620

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Specification

The CAS registry number of 1,8-Diazaspiro[4.5]decane-1-carboxylicacid, 1,1-dimethylethyl ester is 885279-92-5. The systematic name is tert-butyl 4,8-diazaspiro[4.5]decane-4-carboxylate. In addition, the molecular formula is C₁₃H₂₄N₂O₂ and the molecular weight is 240.34. What's more, it should be stored in a cool and dry place.

Physical properties about 1,8-Diazaspiro[4.5]decane-1-carboxylicacid, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.71; (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)N2CCCC12CCNCC1
(2)InChI: InChI=1/C13H24N2O2/c1-12(2,3)17-11(16)15-10-4-5-13(15)6-8-14-9-7-13/h14H,4-10H2,1-3H3
(3)InChIKey: AGYJKDRKBSJWLJ-UHFFFAOYAG