Name: 1H-Pyrrole-2-carboxamide,1-amino-(9CI)
SKU: 159326-69-9

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Basic Information

Molecular Structure:
CAS No.:	159326-69-9
Name:	1H-Pyrrole-2-carboxamide,1-amino-(9CI)
Article Data:	11

Formula:	C₅H₇N₃O
Molecular Weight:	125.13
Synonyms:	1-Amino-1H-pyrrole-2-carboxamide;2-Carbamoyl-1H-pyrrol-1-ylamine;2-Carbamoyl-1H-pyrrole-1-amine;
Density:	1.457 g/cm³
Boiling Point:	425.897 °C at 760 mmHg
Flash Point:	211.375 °C
PSA:	74.04000
LogP:	0.58230

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Specification

The 1-Amino-1H-pyrrole-2-carboxamide is an organic compound with the formula C₅H₇N₃O. The IUPAC name of this chemical is 1-aminopyrrole-2-carboxamide. With the CAS registry number 159326-69-9, it is also named as 1-Amino-1H-pyrrole-2-carboxylic acid amide. The product's categories are Amineprimary; Pyrrole.

Physical properties about 1-Amino-1H-pyrrole-2-carboxamide are: (1)ACD/LogP: -0.09; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8; (7)ACD/KOC (pH 7.4): 8; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 74.04 Å²; (12)Index of Refraction: 1.659; (13)Molar Refractivity: 31.672 cm³; (14)Molar Volume: 85.891 cm³; (15)Polarizability: 12.556×10^-24cm³; (16)Surface Tension: 68.065 dyne/cm; (17)Density: 1.457 g/cm³; (18)Flash Point: 211.375 °C; (19)Enthalpy of Vaporization: 68.062 kJ/mol; (20)Boiling Point: 425.897 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)c1cccn1N
(2)InChI: InChI=1/C5H7N3O/c6-5(9)4-2-1-3-8(4)7/h1-3H,7H2,(H2,6,9)
(3)InChIKey: WXHLTDFUEACLBE-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C5H7N3O/c6-5(9)4-2-1-3-8(4)7/h1-3H,7H2,(H2,6,9)
(5)Std. InChIKey: WXHLTDFUEACLBE-UHFFFAOYSA-N