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Name |
(5-Bromomethylpyrazin-2-yl)carbamic acid tert-butyl ester |
EINECS | N/A |
CAS No. | 369638-69-7 | Density | 1.482 g/cm3 |
PSA | 64.11000 | LogP | 2.79150 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H14BrN3O2 | Boiling Point | 324.409 °C at 760 mmHg |
Molecular Weight | 288.144 | Flash Point | 149.997 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Carbamicacid, [5-(bromomethyl)pyrazinyl]-, 1,1-dimethylethyl ester (9CI);(5-Bromomethylpyrazin-2-yl)carbamicacid tert-butyl ester;tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamate; |
Article Data | 8 |
The (5-Bromomethylpyrazin-2-yl)carbamic acid tert-butyl ester, with the CAS registry number 369638-69-7, has the systematic name and IUPAC name of tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamate. And the molecular formula of the chemical is C10H14BrN3O2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.751; (4)ACD/LogD (pH 7.4): 0.751; (5)ACD/BCF (pH 5.5): 2.19; (6)ACD/BCF (pH 7.4): 2.19; (7)ACD/KOC (pH 5.5): 60.996; (8)ACD/KOC (pH 7.4): 60.995; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 64.11 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 64.965 cm3; (15)Molar Volume: 194.387 cm3; (16)Polarizability: 25.754×10-24cm3; (17)Surface Tension: 52.15 dyne/cm; (18)Density: 1.482 g/cm3; (19)Flash Point: 149.997 °C; (20)Enthalpy of Vaporization: 56.643 kJ/mol; (21)Boiling Point: 324.409 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)OC(=O)Nc1cnc(cn1)CBr
(2)InChI: InChI=1/C10H14BrN3O2/c1-10(2,3)16-9(15)14-8-6-12-7(4-11)5-13-8/h5-6H,4H2,1-3H3,(H,13,14,15)
(3)InChIKey: FPWNVMNGKNLYSC-UHFFFAOYAO