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912773-12-7

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Basic Information
CAS No.: 912773-12-7
Name: 2-AMINO-3-PYRROLIDIN-1-YLPYRAZINE
Molecular Structure:
Molecular Structure of 912773-12-7 (2-AMINO-3-PYRROLIDIN-1-YLPYRAZINE)
Formula: C8H12N4
Molecular Weight: 164.21
Synonyms: Pyrazinamine, 3-(1-pyrrolidinyl)- (9CI);
Density: 1.238 g/cm3
Boiling Point: 344.546 °C at 760 mmHg
Flash Point: 162.176 °C
PSA: 55.04000
LogP: 1.30520
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Specification

This chemical is called 2-Pyrazinamine, 3-(1-pyrrolidinyl)-, and its CAS registry number is 912773-12-7. With the molecular formula of C8H12N4, its molecular weight is 164.21.

Other characteristics of the 2-Pyrazinamine, 3-(1-pyrrolidinyl)- can be summarised as followings: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.396; (4)ACD/LogD (pH 7.4): 2.481; (5)ACD/BCF (pH 5.5): 37.201; (6)ACD/BCF (pH 7.4): 45.215; (7)ACD/KOC (pH 5.5): 437.921; (8)ACD/KOC (pH 7.4): 532.266; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.04 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 46.876 cm3; (15)Molar Volume: 132.691 cm3; (16)Polarizability: 18.583×10-24cm3; (17)Surface Tension: 67.098 dyne/cm; (18)Density: 1.238 g/cm3; (19)Flash Point: 162.176 °C; (20)Enthalpy of Vaporization: 58.852 kJ/mol; (21)Boiling Point: 344.546 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: c1cnc(c(n1)N)N2CCCC2
2.InChI: InChI=1/C8H12N4/c9-7-8(11-4-3-10-7)12-5-1-2-6-12/h3-4H,1-2,5-6H2,(H2,9,10)
3.InChIKey: ZHZCCBLCVMEAPB-UHFFFAOYAT