Name: tert-Butyl 1,5-diazocane-1-carboxylate
SKU: 223797-64-6

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Basic Information

Molecular Structure:
CAS No.:	223797-64-6
Name:	tert-Butyl 1,5-diazocane-1-carboxylate

Formula:	C₁₁H₂₂N₂O₂
Molecular Weight:	214.308
Synonyms:	1,5-Diazocine-1(2H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester;
Density:	0.991 g/cm³
Boiling Point:	297.089 °C at 760 mmHg
Flash Point:	133.475 °C
PSA:	41.57000
LogP:	1.87360

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Specification

This product is an organic compound with the formula C₁₁H₂₂N₂O₂. The systematic name of this chemical is tert-Butyl 1,5-diazocane-1-carboxylate. With the CAS registry number 223797-64-6, it is also named as 1,5-Diazocine-1(2H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester. In addition, the molecular weight is 214.17.

Physical properties of tert-Butyl 1,5-diazocane-1-carboxylate are: (1)ACD/LogP: 1.54; (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: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 41.57 Å²; (11)Index of Refraction: 1.462; (12)Molar Refractivity: 59.4 cm³; (13)Molar Volume: 216.207 cm³; (14)Polarizability: 23.548×10^-24cm³; (15)Surface Tension: 32.802 dyne/cm; (16)Density: 0.991 g/cm³; (17)Flash Point: 133.475 °C; (18)Enthalpy of Vaporization: 53.691 kJ/mol; (19)Boiling Point: 297.089 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1CCCNCCC1
(2)Std. InChI: InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-4-6-12-7-5-9-13/h12H,4-9H2,1-3H3
(3)Std. InChIKey: ZRKUMLHCFYSTGC-UHFFFAOYSA-N