1,7-Diazaspiro[4.4]nonane-1-carboxylicacid, 1,1-dimethylethyl ester supplier

Name
Tert-butyl 1,7-diazaspiro[4,4]nonane-1-carboxylate
EINECS
CAS No. 885268-47-3
Article Data2
CAS DataBase
Density 1.08 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₂N₂O₂
Boiling Point 319.4 °C at 760 mmHg
Molecular Weight 226.319
Flash Point 147 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-butyl 4,7-diazaspiro[4.4]nonane-4-carboxylate;1,7-diazaspiro[4.4]nonane-1-carboxylic acid, 1,1-dimethylethyl ester;tert-butyl 1,7-diazaspiro[4.4]nonane-1-carboxylate;1,7-Diazaspiro[4.4]nonane-1-carboxylic acid tert-butyl ester;1-Boc-1,7-diazaspiro[4.4]nonane;
PSA 41.57000
LogP 2.01610

1,7-Diazaspiro[4.4]nonane-1-carboxylicacid, 1,1-dimethylethyl ester Specification

The 1,7-Diazaspiro[4.4]nonane-1-carboxylicacid, 1,1-dimethylethyl ester, with the CAS registry number 885268-47-3, has the systematic name of tert-butyl 4,7-diazaspiro[4.4]nonane-4-carboxylate. It is also called 1,7-Diazaspiro[4.4]nonane-1-carboxylic acid tert-butyl ester, and the molecular formula of this chemical is C₁₂H₂₂N₂O₂.

The physical properties of 1,7-Diazaspiro[4.4]nonane-1-carboxylicacid, 1,1-dimethylethyl ester are as following: (1)ACD/LogP: 1.03; (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: 1.517; (8)Molar Refractivity: 62.92 cm³; (9)Molar Volume: 207.7 cm³; (10)Polarizability: 24.94×10^-24cm³; (11)Surface Tension: 40.5 dyne/cm; (12)Density: 1.08 g/cm³; (13)Flash Point: 147 °C; (14)Enthalpy of Vaporization: 56.1 kJ/mol; (15)Boiling Point: 319.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000339 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCCC12CCNC2
(2)InChI: InChI=1/C12H22N2O2/c1-11(2,3)16-10(15)14-8-4-5-12(14)6-7-13-9-12/h13H,4-9H2,1-3H3
(3)InChIKey: LZBANXJWOBNBLH-UHFFFAOYAQ

Product Name

Tert-butyl 1,7-diazaspiro[4,4]nonane-1-carboxylate

1,7-Diazaspiro[4.4]nonane-1-carboxylicacid, 1,1-dimethylethyl ester Specification

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