CAS No.949922-61-6,TERT-BUTYL 3-BROMO-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZINE-7(8H)-CARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	949922-61-6
Name:	TERT-BUTYL 3-BROMO-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZINE-7(8H)-CARBOXYLATE

Formula:	C₁₁H₁₆BrN₃O₂
Molecular Weight:	302.171
Synonyms:	tert-butyl 3-bromo-5,6-dihydroimidazo[1,2-a]pyrazine-7(8H)-carboxylate;
Density:	1.525 g/cm³
Boiling Point:	432.371 °C at 760 mmHg
Flash Point:	215.29 °C
PSA:	47.36000
LogP:	2.33420

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Specification

The CAS register number of tert-Butyl 3-bromo-5,6-dihydroimidazo[1,2-a]pyrazine-7(8H)-carboxylate is 949922-61-6. It also can be called as Imidazo[1,2-a]pyrazine-7(8H)-carboxylic acid,3-bromo-5,6-dihydro-, 1,1-dimethylethyl ester and the IUPAC name about this chemical is tert-butyl 3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate. The molecular formula about this chemical is C₁₁H₁₆BrN₃O₂and molecular weight is 302.17.

Physical properties about tert-Butyl 3-bromo-5,6-dihydroimidazo[1,2-a]pyrazine-7(8H)-carboxylate are: (1)ACD/LogP: 1.69; (2)ACD/LogD (pH 5.5): 1.347; (3)ACD/LogD (pH 7.4): 1.685; (4)ACD/BCF (pH 5.5): 5.143; (5)ACD/BCF (pH 7.4): 11.187; (6)ACD/KOC (pH 5.5): 89.728; (7)ACD/KOC (pH 7.4): 195.174; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 47.36Å²; (11)Index of Refraction: 1.612; (12)Molar Refractivity: 68.881 cm³; (13)Molar Volume: 198.103 cm³; (14)Polarizability: 27.307x10^-24cm³; (15)Surface Tension: 46.812 dyne/cm; (16)Enthalpy of Vaporization: 68.815 kJ/mol; (17)Boiling Point: 432.371 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCn2c(cnc2C1)Br
(2)InChI: InChI=1/C11H16BrN3O2/c1-11(2,3)17-10(16)14-4-5-15-8(12)6-13-9(15)7-14/h6H,4-5,7H2,1-3H3
(3)InChIKey: YTGNTPFZMKDHEY-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C11H16BrN3O2/c1-11(2,3)17-10(16)14-4-5-15-8(12)6-13-9(15)7-14/h6H,4-5,7H2,1-3H3
(5)Std. InChIKey: YTGNTPFZMKDHEY-UHFFFAOYSA-N