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Basic Information
CAS No.: 673-50-7
Name: N-METHYL-1H-IMIDAZOLE-4-ETHANAMINE DIHYDROCHLORIDE
Molecular Structure:
Molecular Structure of 673-50-7 (N-METHYL-1H-IMIDAZOLE-4-ETHANAMINE DIHYDROCHLORIDE)
Formula:  C6H11 N3
Molecular Weight: 125.1716
Synonyms: 1H-Imidazole-4-ethanamine,N-methyl- (9CI);Imidazole, 4(or 5)-[2-(methylamino)ethyl]- (6CI,7CI);Imidazole, 4-[2-(methylamino)ethyl]- (8CI);4-(2-Methylaminoethyl)-1H-imidazole;4-(2-Methylaminoethyl)imidazole;4-[2-(N-Methylamino)ethyl]imidazole;Methylhistamine;N-Methylhistamine;Na-Methylhistamine;Na-Methylhistamine;
Density: 1.05 g/cm3
Boiling Point: 309.1 ºC at 760 mmHg
Flash Point: 140.8 ºC
Solubility: Soluble to 100 mM in Water
PSA: 40.71000
LogP: 2.16650
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Specification

The 1H-Imidazole-5-ethanamine,N-methyl-, with its cas register number 673-50-7, has its IUPAC name of 2-(1H-imidazol-5-yl)-N-methylethanamine. And its product categories are including Histamine receptor.

The physical properties of this chemical could be summarized as: (1)ACD/LogP: -0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.76; (4)ACD/LogD (pH 7.4): -3.69; (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: 3; (12)Polar Surface Area: 21.06 ; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 36.55 cm3; (15)Molar Volume: 119.1 cm3; (16)Polarizability: 14.49 ×10-24 cm3; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.05 g/cm3; (19)Flash Point: 140.8 °C; (20)Enthalpy of Vaporization: 54.99 kJ/mol; (21)Boiling Point: 309.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000651 mmHg at 25°C.

Use of 1H-Imidazole-5-ethanamine,N-methyl-: 1H-Imidazole-5-ethanamine,N-methyl- could react with 4-chloro-quinoline to produce [2-(1H-imidazol-4-yl)-ethyl]-methyl-quinolin-4-yl-amine.

This reation occurs in the following condition: reagent: phenol; reaction time: 12 hours; reaction temp.: 140 ℃; field: 35%.

Additionally, you could convert the following datas information into the molecular structure:
(1)Canonical SMILES: CNCCC1=CN=CN1
(2)InChI: InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9) 
(3)InChIKey: PHSPJQZRQAJPPF-UHFFFAOYSA-N