2-Imidazol-1-ylethanamine (93668-43-0)

The IUPAC name of 2-Imidazol-1-ylethanamine is 2-imidazol-1-ylethanamine. With the CAS registry number 93668-43-0, it is also named as 2-(1H-Imidazol-1-yl)ethanamine. The product's molecular formula is C₅H₉N₃ and its molecular weight is 111.15. 

The other characteristics of 2-Imidazol-1-ylethanamine can be summarized as: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1.69; (5)XLogP3: -1; (6)Rotatable Bond Count: 2; (7)Exact Mass: 111.079647; (8)MonoIsotopic Mass: 111.079647; (9)Heavy Atom Count: 8; (10)Complexity: 64.7; (11)H bond acceptors: 3; (12)H bond donors: 2; (13)Freely Rotating Bonds: 3; (14)Polar Surface Area: 43.84 Å²; (15)Index of Refraction: 1.577; (16)Molar Refractivity: 31.96 cm³; (17)Molar Volume: 96.428 cm³; (18)Polarizability: 12.67×10^-24cm³; (19)Surface Tension: 47.866 dyne/cm; (20)Density: 1.153 g/cm³; (21)Flash Point: 125.234 °C; (22)Melting Point: 214-216 °C; (23)Enthalpy of Vaporization: 52.239 kJ/mol; (24)Boiling Point: 283.463 °C at 760 mmHg; (25)Vapour Pressure: 0.003 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 2-Imidazol-1-ylethanamine is irritating to eyes, respiratory system and skin. Please wear suitable protective clothing, gloves and eye/face protection. In addition, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1cn(cn1)CCN
(2)InChI:InChI=1/C5H9N3/c6-1-3-8-4-2-7-5-8/h2,4-5H,1,3,6H2
(3)InChIKey:YCIRHAGYEUJTFH-UHFFFAOYAT
(4)Std. InChI:InChI=1S/C5H9N3/c6-1-3-8-4-2-7-5-8/h2,4-5H,1,3,6H2
(5)Std. InChIKey:YCIRHAGYEUJTFH-UHFFFAOYSA-N