5-(2-Aminoethyl)-1H-imidazol-2-amine supplier

Name
5-(2-Aminoethyl)-1H-imidazol-2-amine
EINECS
CAS No. 39050-13-0
Article Data4
CAS DataBase
Density 1.264 g/cm³
Solubility
Melting Point
Formula C₅H₁₀N₄
Boiling Point 376.9 °C at 760 mmHg
Molecular Weight 126.161
Flash Point 209.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Imidazole-4-ethanamine,2-amino- (9CI);2-Aminohistamine;
PSA 80.72000
LogP 0.77460

5-(2-Aminoethyl)-1H-imidazol-2-amine Specification

The 5-(2-Aminoethyl)-1H-imidazol-2-amine is an organic compound with the formula C₅H₁₀N₄. The IUPAC name of this chemical is 5-(2-aminoethyl)-1H-imidazol-2-amine. With the CAS registry number 39050-13-0, it is also named as 1H-imidazole-4-ethanamine, 2-amino-.

Physical properties about 5-(2-Aminoethyl)-1H-imidazol-2-amine are: (1)# of Rule of 5 Violations: 1 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 80.72 Å²; (10)Index of Refraction: 1.644; (11)Molar Refractivity: 36.098 cm³; (12)Molar Volume: 99.754 cm³; (13)Polarizability: 14.31×10^-24cm³; (14)Surface Tension: 73.912 dyne/cm; (15)Density: 1.265 g/cm³; (16)Flash Point: 209.703 °C; (17)Enthalpy of Vaporization: 62.459 kJ/mol; (18)Boiling Point: 376.894 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c([nH]c(n1)N)CCN
(2)InChI: InChI=1/C5H10N4/c6-2-1-4-3-8-5(7)9-4/h3H,1-2,6H2,(H3,7,8,9)
(3)InChIKey: PDWGQCUSLDPUFM-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C5H10N4/c6-2-1-4-3-8-5(7)9-4/h3H,1-2,6H2,(H3,7,8,9)
(5)Std. InChIKey: PDWGQCUSLDPUFM-UHFFFAOYSA-N

Product Name

5-(2-Aminoethyl)-1H-imidazol-2-amine

5-(2-Aminoethyl)-1H-imidazol-2-amine Specification

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