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CAS No.: | 13805-21-5 |
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Name: | 1H-Imidazol-2-amine,4,5-dimethyl-(9CI) |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C5H9N3 |
Molecular Weight: | 111.147 |
Synonyms: | 4,5-Dimethyl-1H-imidazol-2-amine;2-Amnio-4,5-dimethyl-1H-imidazole; |
Density: | 1.16 g/cm3 |
Boiling Point: | 319.901 °C at 760 mmHg |
Flash Point: | 173.232 °C |
PSA: | 54.70000 |
LogP: | 1.18990 |
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The 1H-Imidazol-2-amine, 4,5-dimethyl-, with the CAS registry number 13805-21-5, is also known as 2-Amnio-4,5-dimethyl-1H-imidazole. It belongs to the product category of Variousamine. This chemical's molecular formula is C5H9N3 and molecular weight is 111.15. What's more, its systematic name is 4,5-dimethyl-1H-imidazol-2-amine.
Physical properties of 1H-Imidazol-2-amine, 4,5-dimethyl- are: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.7 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 32.663 cm3; (15)Molar Volume: 95.81 cm3; (16)Polarizability: 12.949×10-24cm3; (17)Surface Tension: 56.046 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 173.232 °C; (20)Enthalpy of Vaporization: 56.153 kJ/mol; (21)Boiling Point: 319.901 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1nc(N)nc1C
(2)InChI: InChI=1S/C5H9N3/c1-3-4(2)8-5(6)7-3/h1-2H3,(H3,6,7,8)
(3)InChIKey: JUWWVCSNLLWQBL-UHFFFAOYSA-N