Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(1-Methyl-1H-imidazol-4-yl)methylamine |
EINECS | N/A |
CAS No. | 486414-83-9 | Density | 1.16 g/cm3 |
PSA | 43.84000 | LogP | 0.57910 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H9N3 | Boiling Point | 292.187 °C at 760 mmHg |
Molecular Weight | 111.147 | Flash Point | 130.51 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39-45-23 | Risk Codes | 34-22 |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
4-Aminomethyl-1-methylimidazole;C-(1-Methyl-1H-imidazol-4-yl)methylamine; |
Article Data | 3 |
The (1-Methyl-1H-imidazol-4-yl)methylamine is an organic compound with the formula C5H9N3. The IUPAC name of this chemical is (1-methylimidazol-4-yl)methanamine. With the CAS registry number 486414-83-9, it is also named as 4-(Aminomethyl)-1-methyl-1H-imidazole. In addition, the molecular weight is 111.14.
The other characteristics of (1-Methyl-1H-imidazol-4-yl)methylamine can be summarized as: (1)ACD/LogP: -1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.86; (4)ACD/LogD (pH 7.4): -2.16; (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: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.579; (13)Molar Refractivity: 31.77 cm3; (14)Molar Volume: 95.5 cm3; (15)Polarizability: 12.59×10-24 cm3; (16)Surface Tension: 44 dyne/cm; (17)Enthalpy of Vaporization: 53.17 kJ/mol; (18)Vapour Pressure: 0.00186 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 111.079647; (21)MonoIsotopic Mass: 111.079647; (22)Topological Polar Surface Area: 43.8; (23)Heavy Atom Count: 8; (24)Complexity: 74.1.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and can cause burns. So people should not breathe vapour. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
1. SMILES:n1c(cn(c1)C)CN
2. InChI:InChI=1/C5H9N3/c1-8-3-5(2-6)7-4-8/h3-4H,2,6H2,1H3
3. InChIKey:YSEAGFBRAQOCFM-UHFFFAOYAB
4. Std. InChI:InChI=1S/C5H9N3/c1-8-3-5(2-6)7-4-8/h3-4H,2,6H2,1H3
5. Std. InChIKey:YSEAGFBRAQOCFM-UHFFFAOYSA-N