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159326-66-6

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Basic Information
CAS No.: 159326-66-6
Name: 1H-Pyrrole-2-carbonitrile,1-amino-(9CI)
Article Data: 18
Molecular Structure:
Molecular Structure of 159326-66-6 (1H-Pyrrole-2-carbonitrile,1-amino-(9CI))
Formula: C5H5N3
Molecular Weight: 107.115
Synonyms: 1-Aminopyrrole-2-carbonitrile;
Density: 1.21 g/cm3
Boiling Point: 297.429 °C at 760 mmHg
Flash Point: 133.681 °C
PSA: 54.74000
LogP: 0.65478
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Specification

The 1H-Pyrrole-2-carbonitrile,1-amino-, with the CAS registry number 159326-66-6, is also known as 1-Aminopyrrole-2-carbonitrile. It belongs to the product category of Variousamine. This chemical's molecular formula is C5H5N3 and molecular weight is 107.1133. What's more, its systematic name is called 1-Amino-1H-pyrrole-2-carbonitrile.

Physical properties about 1H-Pyrrole-2-carbonitrile,1-amino- are: (1)ACD/LogP: -0.19; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 54.74 Å2; (7)Index of Refraction: 1.613; (8)Molar Refractivity: 30.82 cm3; (9)Molar Volume: 88.496 cm3; (10)Polarizability: 12.218×10-24 cm3; (11)Surface Tension: 55.035 dyne/cm; (12)Density: 1.21 g/cm3; (13)Flash Point: 133.681 °C; (14)Enthalpy of Vaporization: 53.728 kJ/mol; (15)Boiling Point: 297.429 °C at 760 mmHg; (16)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cccn1N
(2) InChI: InChI=1/C5H5N3/c6-4-5-2-1-3-8(5)7/h1-3H,7H2
(3) InChIKey: UEMNUBZZTWYSEI-UHFFFAOYAA