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(1-Methyl-1H-imidazol-4-yl)methylamine

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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 Molecular Structure of 486414-83-9 ((1-Methyl-1H-imidazol-4-yl)methylamine) Hazard Symbols CorrosiveC
Synonyms

4-Aminomethyl-1-methylimidazole;C-(1-Methyl-1H-imidazol-4-yl)methylamine;

Article Data 3

(1-Methyl-1H-imidazol-4-yl)methylamine Specification

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

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