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1H-Pyrrole-2-carboxamide,1-amino- (159326-69-9)

Identification
Name:1H-Pyrrole-2-carboxamide,1-amino-
Synonyms:1-Amino-1H-pyrrole-2-carboxamide;2-Carbamoyl-1H-pyrrol-1-ylamine;2-Carbamoyl-1H-pyrrole-1-amine;
CAS:159326-69-9
Molecular Formula: C5H7N3O
Molecular Weight: 0
InChI: InChI=1/C5H7N3O/c6-5(9)4-2-1-3-8(4)7/h1-3H,7H2,(H2,6,9)
Molecular Structure: (C5H7N3O) 1-Amino-1H-pyrrole-2-carboxamide;2-Carbamoyl-1H-pyrrol-1-ylamine;2-Carbamoyl-1H-pyrrole-1-amine;
Properties
Density:1.457 g/cm3
Refractive index:1.659
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

Safety Data
 

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