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105533-75-3

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Basic Information
CAS No.: 105533-75-3
Name: 1H-Pyrrole-2-carboximidamide
Article Data: 2
Molecular Structure:
Molecular Structure of 105533-75-3 (1H-Pyrrole-2-carboximidamide)
Formula: C5H7N3
Molecular Weight: 109.13
Synonyms: 1H-pyrrole-2-carboximidamide;2-pyrrolylidenemethanediamine;1H-pyrrol-2-carboximidamide;2-pyrrolecarboxamidine;
Density: 1.324 g/cm3
Boiling Point: 268.794 °C at 760 mmHg
Flash Point: 116.363 °C
PSA: 64.40000
LogP: 0.54970
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Specification

The 1H-Pyrrole-2-carboximidamide has the CAS registry number 105533-75-3. This chemical's molecular formula is C5H7N3 and molecular weight is 109.13. What's more, its systematic name is also 1H-pyrrole-2-carboximidamide.

Physical properties of 1H-Pyrrole-2-carboximidamide are: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 1; (5)#H bond acceptors: 3; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 65.66 Å2; (9)Index of Refraction: 1.646; (10)Molar Refractivity: 29.918 cm3; (11)Molar Volume: 82.411 cm3; (12)Polarizability: 11.86×10-24cm3; (13)Surface Tension: 57.239 dyne/cm; (14)Density: 1.324 g/cm3; (15)Flash Point: 116.363 °C; (16)Enthalpy of Vaporization: 50.689 kJ/mol; (17)Boiling Point: 268.794 °C at 760 mmHg; (18)Vapour Pressure: 0.008 mmHg at 25°C.

Uses of 1H-Pyrrole-2-carboximidamide: it can be used to produce 5-phenyl-2-(1H-pyrrol-2-yl)-pyrimidine by heating. It will need reagent NaOEt and solvent ethanol with the reaction time of 2 hours. The yield is about 45%.

You can still convert the following datas into molecular structure:
(1)SMILES: NC(=N)c1cccn1
(2)InChI: InChI=1S/C5H7N3/c6-5(7)4-2-1-3-8-4/h1-3,8H,(H3,6,7)
(3)InChIKey: FSUPKDUNLKQBCN-UHFFFAOYSA-N