CAS No.173405-78-2,3,9-DIAZA-SPIRO[5.5]UNDECANE-3-CARBOXYLIC ACID TERT-BUTYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	173405-78-2
Name:	3,9-DIAZA-SPIRO[5.5]UNDECANE-3-CARBOXYLIC ACID TERT-BUTYL ESTER

Formula:	C₁₄H₂₆N₂O₂
Molecular Weight:	254.373
Synonyms:	3,9-Diazaspiro[5.5]undecane-3-carboxylicacid tert-butyl ester;tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;
Density:	1.05
Melting Point:	0oC
Boiling Point:	0oC
Flash Point:	0oC
Hazard Symbols:	R36/37/38:;
Risk Codes:	36/37/38
Safety:	26-36
PSA:	41.57000
LogP:	2.65380

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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