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tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate

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Name

tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate

EINECS N/A
CAS No. 173405-78-2 Density 1.05
PSA 41.57000 LogP 2.65380
Solubility N/A Melting Point 0oC
Formula C14H26N2O2 Boiling Point 0oC
Molecular Weight 254.373 Flash Point 0oC
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 173405-78-2 (3,9-DIAZA-SPIRO[5.5]UNDECANE-3-CARBOXYLIC ACID TERT-BUTYL ESTER) Hazard Symbols R36/37/38:;
Synonyms

3,9-Diazaspiro[5.5]undecane-3-carboxylicacid tert-butyl ester;tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;

 

tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate Specification

The tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate is also the name of its IUPAC name and systematic name. It is belongs to the classes of Heterocycles series; pharmacetical. With cas registry number of 173405-78-2, it is also known as 3,9-Diazaspiro[5.5]undecane-3-carboxylic acid tert-butyl ester.

Physical properties about this chemical are: (1)ACD/LogP: 1.72; (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: 1.513; (12)Molar Refractivity: 72.189 cm3; (13)Molar Volume: 240.372 cm3 ; (14)Surface Tension: 39.983 dyne/cm; (15)Density: 1.058 g/cm3; (16)Flash Point: 167.977 °C; (17)Enthalpy of Vaporization: 59.914 kJ/mol; (18)Boiling Point: 354.137 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Wear suitable protective clothing when you are using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES:CC(C)(C)OC(=O)N1CCC2(CC1)CCNCC2;
(2)InChI: InChI=1/C14H26N2O2/c1-13(2,3)18-12(17)16-10-6-14(7-11-16)4-8-15-9-5-14/h15H,4-11H2,1-3H3;
(3)InChIKey: YLKHACHFJMCIRE-UHFFFAOYAP

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