4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole supplier

Name
4-[[(2-aminoethyl)thio]methyl]-5-methylimidazole
EINECS 254-022-2
CAS No. 38585-67-0
Article Data14
CAS DataBase
Density 1.187 g/cm³
Solubility
Melting Point
Formula C₇H₁₃N₃S
Boiling Point 400.3 °C at 760 mmHg
Molecular Weight 171.266
Flash Point 195.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(5-Methyl-1(3)H-imidazol-4-ylmethylsulfanyl)-ethylamine;
PSA 80.00000
LogP 1.61030

4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole Specification

The 4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole, with the CAS registry number , is also known as 4-[(2-Aminoethyl)thiomethyl]-5-methyl-1H-imidazole. Its EINECS registry number is 254-022-2. This chemical's molecular formula is C₇H₁₃N₃S and molecular weight is 171.26322. What's more, its systematic name is called 2-{[(4-Methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethanamine.

Physical properties about 4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole are: (1)# of Rule of 5 Violations: 0 ; (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: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 46.36 Å²; (10)Index of Refraction: 1.599; (11)Molar Refractivity: 49.31 cm³; (12)Molar Volume: 144.2 cm³; (13)Surface Tension: 56.1 dyne/cm; (14)Density: 1.187 g/cm³; (15)Flash Point: 195.9 °C; (16)Enthalpy of Vaporization: 65.11 kJ/mol; (17)Boiling Point: 400.3 °C at 760 mmHg; (18)Vapour Pressure: 1.29E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S(CCN)Cc1ncnc1C
(2) InChI: InChI=1/C7H13N3S/c1-6-7(10-5-9-6)4-11-3-2-8/h5H,2-4,8H2,1H3,(H,9,10)
(3) InChIKey: JEOZNMMOIBLWLV-UHFFFAOYAW

Product Name

4-[[(2-aminoethyl)thio]methyl]-5-methylimidazole

4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole Specification

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