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CAS No.: | 1000339-30-9 |
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Name: | 2-CHLORO-6-PYRROLIDIN-1-YLPYRAZINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H10ClN3 |
Molecular Weight: | 183.6381 |
Synonyms: | 2-Chloro-6-pyrrolidin-1-ylpyrazine; |
Density: | 1.289 g/cm3 |
Boiling Point: | 313.7 °C at 760 mmHg |
Flash Point: | 143.5 °C |
Hazard Symbols: | Xi |
PSA: | 29.02000 |
LogP: | 1.79520 |
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The 2-Chloro-6-(pyrrolidin-1-yl)pyrazine, with the CAS registry number 1000339-30-9, is also known as 2-Chloro-6-pyrrolidin-1-ylpyrazine. It belongs to the product categories of Pyrazines, Pyrimidines & Pyridazines; Halides. This chemical's molecular formula is C8H10ClN3 and molecular weight is 183.6381. What's more, its systematic name is 2-Chloro-6-pyrrolidin-1-yl-pyrazine. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 2-Chloro-6-(pyrrolidin-1-yl)pyrazine are: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.34; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 29.02 Å2; (9)Index of Refraction: 1.582; (10)Molar Refractivity: 47.53 cm3; (11)Molar Volume: 142.3 cm3; (12)Polarizability: 18.84×10-24 cm3; (13)Surface Tension: 55.7 dyne/cm; (14)Density: 1.289 g/cm3; (15)Flash Point: 143.5 °C; (16)Enthalpy of Vaporization: 55.48 kJ/mol; (17)Boiling Point: 313.7 °C at 760 mmHg; (18)Vapour Pressure: 0.000489 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1c(nc(cn1)Cl)N2CCCC2
(2) InChI: InChI=1/C8H10ClN3/c9-7-5-10-6-8(11-7)12-3-1-2-4-12/h5-6H,1-4H2
(3) InChIKey: JWMYNAAPKTUCSM-UHFFFAOYAX