CAS No.877773-38-1,S,S-2,6-bis(1,1-diMethylethyl)-2,3,5,6-tetrahydro-1H-IMidazo[1,2-a]iMidazole Suppliers

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Molecular Structure:
CAS No.:	877773-38-1
Name:	S,S-2,6-bis(1,1-diMethylethyl)-2,3,5,6-tetrahydro-1H-IMidazo[1,2-a]iMidazole
Article Data:	2

Formula:	C₁₃H₂₅N₃
Molecular Weight:	223.362
Synonyms:	(2S,6S)-2,6-Di-tert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole;RD-0079;S,S-2,6-bis(1,1-diMethylethyl)-2,3,5,6-tetrahydro-1H-IMidazo[1,2-a]iMidazole;
Density:	1.061 g/cm³
Boiling Point:	285.484 °C at 760 mmHg
Flash Point:	126.457 °C
PSA:	27.63000
LogP:	1.79290

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Specification

The S,S-2,6-Bis(1,1-dimethylethyl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole, with the CAS registry number 877773-38-1, is also known as 1H-Imidazo[1,2-a]imidazole,2,6-bis(1,1-dimethylethyl)-2,3,5,6-tetrahydro-, (2S,6S)-. This chemical's molecular formula is C₁₃H₂₅N₃ and molecular weight is 223.36. What's more, its systematic name is (2S,6S)-2,6-Bis(2-methyl-2-propanyl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole.

Physical properties of S,S-2,6-Bis(1,1-dimethylethyl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole are: (1)ACD/LogP: 1.585; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/LogD (pH 7.4): -0.14; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.75; (8)ACD/KOC (pH 7.4): 3.29; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 27.63 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 67.376 cm³; (15)Molar Volume: 210.592 cm³; (16)Polarizability: 26.71×10^-24cm³; (17)Surface Tension: 33.1 dyne/cm; (18)Density: 1.061 g/cm³; (19)Flash Point: 126.457 °C; (20)Enthalpy of Vaporization: 52.453 kJ/mol; (21)Boiling Point: 285.484 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)[C@H]1CN2C[C@@H](N=C2N1)C(C)(C)C
(2)Std. InChI: InChI=1S/C13H25N3/c1-12(2,3)9-7-16-8-10(13(4,5)6)15-11(16)14-9/h9-10H,7-8H2,1-6H3,(H,14,15)/t9-,10-/m1/s1
(3)Std. InChIKey: NHPAGFYCHIPMCC-NXEZZACHSA-N