Name: MCLA
SKU: 128322-44-1

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Basic Information

Molecular Structure:
CAS No.:	128322-44-1
Name:	MCLA
Article Data:	2

Formula:	C₁₄H₁₂N₃O₂^.HCl
Molecular Weight:	291.737
Synonyms:	6-(4-Methoxyphenyl)-2-methylimidazo[1,2-a]pyrazin-3(7H)-one hydrochloride (1:1);imidazo[1,2-a]pyrazin-3(7H)-one, 6-(4-methoxyphenyl)-2-methyl-, hydrochloride (1:1);
Boiling Point:	410.3 °C at 760 mmHg
Flash Point:	201.9 °C
Solubility:	DMSO: soluble
Safety:	22-24/25
PSA:	59.39000
LogP:	2.80860

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Specification

The CAS register number of 6-(4-Methoxyphenyl)-2-methyl-3,7-dihydroimidazo[1,2-a]pyrazin-3(7H)-one hydrochloride is 128322-44-1. It also can be called as imidazo[1,2-a]pyrazin-3(7H)-one, 6-(4-methoxyphenyl)-2-methyl-, hydrochloride (1:1) and the systematic name about this chemical is 6-(4-methoxyphenyl)-2-methylimidazo[1,2-a]pyrazin-3(7H)-one hydrochloride. The molecular formula about this chemical is C₁₄H₁₂N₃O₂^.HCl and molecular weight is 290.72. It belongs to the following product categories which include Analytical Chemistry; Chemiluminescence; Cypridina Luciferin Analog and so on. When you are using it, please do not breathe dust and avoid contact with skin and eyes.

Physical properties about 6-(4-Methoxyphenyl)-2-methyl-3,7-dihydroimidazo[1,2-a]pyrazin-3(7H)-one hydrochloride are: (1)ACD/LogP: 0.53; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 3.91; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 53.93Å²; (10)Flash Point: 201.9 °C; (11)Enthalpy of Vaporization: 67.55 kJ/mol; (12)Boiling Point: 410.3 °C at 760 mmHg; (13)Vapour Pressure: 3.95E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.COc1ccc(cc1)C/2=C/N3C(=C\N\2)/N=C(/C)C3=O
(2)InChI: InChI=1/C14H13N3O2.ClH/c1-9-14(18)17-8-12(15-7-13(17)16-9)10-3-5-11(19-2)6-4-10;/h3-8,15H,1-2H3;1H
(3)InChIKey: KGMPQNFFCUDXSO-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C14H13N3O2.ClH/c1-9-14(18)17-8-12(15-7-13(17)16-9)10-3-5-11(19-2)6-4-10;/h3-8,15H,1-2H3;1H
(5)Std. InChIKey: KGMPQNFFCUDXSO-UHFFFAOYSA-N