CAS No.486414-83-9,(1-Methyl-1H-imidazol-4-yl)methylamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	486414-83-9
Name:	(1-Methyl-1H-imidazol-4-yl)methylamine
Article Data:	3

Formula:	C₅H₉N₃
Molecular Weight:	111.147
Synonyms:	4-Aminomethyl-1-methylimidazole;C-(1-Methyl-1H-imidazol-4-yl)methylamine;
Density:	1.16 g/cm³
Boiling Point:	292.187 °C at 760 mmHg
Flash Point:	130.51 °C
Hazard Symbols:	C
Risk Codes:	34-22
Safety:	26-36/37/39-45-23
PSA:	43.84000
LogP:	0.57910

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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