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Basic Information
CAS No.: 49575-10-2
Name: 1-(2-AMINOETHYL)-2-METHYL-5-NITROIMIDAZOLE DIHYDROCHLORIDE MONOHYDRATE
Molecular Structure:
Molecular Structure of 49575-10-2 (1-(2-AMINOETHYL)-2-METHYL-5-NITROIMIDAZOLE DIHYDROCHLORIDE MONOHYDRATE)
Formula: C6H14Cl2N4O3
Molecular Weight: 261.11
Synonyms: 1H-Imidazole-1-ethanamine,2-methyl-5-nitro-, dihydrochloride (9CI);1-(2-Aminoethyl)-2-methyl-5-nitroimidazoledihydrochloride;2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanamine dihydrochloride;1H-imidazole-1-ethanamine, 2-methyl-5-nitro-, hydrochloride (1:2);
EINECS: 256-385-2
Melting Point: 195 °C
Boiling Point: 420.5 °C at 760 mmHg
Flash Point: 208.1 °C
Appearance: off-white crystalline solid
Hazard Symbols: HarmfulXn
Risk Codes: 40-22
Safety: 45-36/37
PSA: 98.89000
LogP: 2.82160
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Specification

The 1H-Imidazole-1-ethanamine,2-methyl-5-nitro-, hydrochloride (1:2), with the CAS registry number 49575-10-2 and EINECS registry number 256-385-2, has the systematic name of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanamine dihydrochloride. And the molecular formula of this chemical is C6H14Cl2N4O3. It is a kind of off-white crystalline solid, belongs to the product category of Intermediates. In addition, it an interesting intermediate in the synthesis of a number of antibacterial and antitumor agents.

The physical properties of 1H-Imidazole-1-ethanamine,2-methyl-5-nitro-, hydrochloride (1:2) are as following: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 6; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 89.66 Å2; (6)Flash Point: 208.1 °C; (7)Enthalpy of Vaporization: 68.75 kJ/mol; (8)Boiling Point: 420.5 °C at 760 mmHg; (9)Vapour Pressure: 1.79E-07 mmHg at 25°C.

You should be cautious while dealing with this chemical. There's limited evidence of a carcinogenic effect, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves, and in case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.NCCn1c(cnc1C)[N+]([O-])=O
(2)InChI: InChI=1/C6H10N4O2.2ClH/c1-5-8-4-6(10(11)12)9(5)3-2-7;;/h4H,2-3,7H2,1H3;2*1H
(3)InChIKey: AZYQXHDJVHNBRE-UHFFFAOYAN