Basic Information | Post buying leads | Suppliers |
Name |
2-Pyrazinamine,5-bromo-3-(1-pyrrolidinyl)- |
EINECS | N/A |
CAS No. | 893611-72-8 | Density | 1.633 g/cm3 |
PSA | 55.04000 | LogP | 2.06770 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H11BrN4 | Boiling Point | 380.266 °C at 760 mmHg |
Molecular Weight | 243.10374 | Flash Point | 183.779 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
ZINC06745228; |
The 2-Pyrazinamine,5-bromo-3-(1-pyrrolidinyl)-, with the CAS registry number 893611-72-8, is also known as ZINC06745228. This chemical's molecular formula is C8H11BrN4 and molecular weight is 243.10374. Its IUPAC name is called 5-bromo-3-pyrrolidin-1-ylpyrazin-2-amine.
Physical properties of 2-Pyrazinamine,5-bromo-3-(1-pyrrolidinyl)-: (1)ACD/LogP: 3.41; (2)ACD/LogD (pH 5.5): 3.407; (3)ACD/LogD (pH 7.4): 3.409; (4)ACD/BCF (pH 5.5): 228.215; (5)ACD/BCF (pH 7.4): 229.583; (6)ACD/KOC (pH 5.5): 1694.193; (7)ACD/KOC (pH 7.4): 1704.349; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.654; (12)Molar Refractivity: 54.566 cm3; (13)Molar Volume: 148.875 cm3; (14)Surface Tension: 70.132 dyne/cm; (15)Density: 1.633 g/cm3; (16)Flash Point: 183.779 °C; (17)Enthalpy of Vaporization: 62.839 kJ/mol; (18)Boiling Point: 380.266 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCN(C1)C2=NC(=CN=C2N)Br
(2)InChI: InChI=1S/C8H11BrN4/c9-6-5-11-7(10)8(12-6)13-3-1-2-4-13/h5H,1-4H2,(H2,10,11)
(3)InChIKey: RCWRLQVEMFYPQJ-UHFFFAOYSA-N