Basic Information | Post buying leads | Suppliers |
Name |
2-Amino-1H-imidazole-4-carboxylic acid |
EINECS | N/A |
CAS No. | 860011-60-5 | Density | 1.677 g/cm3 |
PSA | 92.00000 | LogP | 0.27130 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H5N3O2 | Boiling Point | 533.9 °C at 760 mmHg |
Molecular Weight | 127.1 | Flash Point | 276.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-Imidazole-4-carboxylicacid, 2-amino- (9CI);2-Amino-1H-imidazole-4-carboxylic acid;2-Amino-1H-imidazole-4-carboxylicacid; |
The 1H-Imidazole-5-carboxylicacid, 2-amino-, with the CAS registry number 860011-60-5, is also known as 2-Amino-1H-imidazole-4-carboxylicacid. This chemical's molecular formula is C4H5N3O2 and molecular weight is 127.1. What's more, its systematic name is 2-amino-1H-imidazole-5-carboxylic acid.
Physical properties of 1H-Imidazole-5-carboxylicacid, 2-amino- are: (1)ACD/LogP: -0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.4; (4)ACD/LogD (pH 7.4): -3.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 47.36 Å2; (13)Index of Refraction: 1.72; (14)Molar Refractivity: 29.94 cm3; (15)Molar Volume: 75.7 cm3; (16)Polarizability: 11.87×10-24cm3; (17)Surface Tension: 116.4 dyne/cm; (18)Density: 1.677 g/cm3; (19)Flash Point: 276.7 °C; (20)Enthalpy of Vaporization: 85.26 kJ/mol; (21)Boiling Point: 533.9 °C at 760 mmHg; (22)Vapour Pressure: 3.13E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cnc(N)n1
(2)InChI: InChI=1S/C4H5N3O2/c5-4-6-1-2(7-4)3(8)9/h1H,(H,8,9)(H3,5,6,7)
(3)InChIKey: YTYZMZQDGZMTJM-UHFFFAOYSA-N