CAS No.146788-11-6,2-AMINO-1-(4-METHYL-PIPERAZIN-1-YL)-ETHANONE 2 HCL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	146788-11-6
Name:	2-AMINO-1-(4-METHYL-PIPERAZIN-1-YL)-ETHANONE 2 HCL

Formula:	C₇H₁₇Cl₂N₃O
Molecular Weight:	230.137
Synonyms:	Piperazine,1-(aminoacetyl)-4-methyl-, dihydrochloride (9CI);2-(4-Methylpiperazin-1-yl)-2-oxoethanamine dihydrochloride;2-Amino-1-(4-methylpiperazin-1-yl)ethanone dihydrochloride;
Melting Point:	274 °C
Boiling Point:	285.6 °C at 760 mmHg
Flash Point:	126.5 °C
PSA:	49.57000
LogP:	0.89920

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Specification

The Ethanone,2-amino-1-(4-methyl-1-piperazinyl)-, hydrochloride (1:2), with the CAS registry number 146788-11-6, is also known as 2-(4-Methylpiperazin-1-yl)-2-oxoethanamine dihydrochloride. It belongs to the product category of Piperazines. This chemical's molecular formula is C₇H₁₇Cl₂N₃O and molecular weight is 230.14. What's more, its IUPAC name is 2-amino-1-(4-methylpiperazin-1-yl)ethanone dihydrochloride.

Physical properties of Ethanone,2-amino-1-(4-methyl-1-piperazinyl)-, hydrochloride (1:2) are: (1)ACD/LogP: -1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.89; (4)ACD/LogD (pH 7.4): -2.39; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.79 Å²; (13)Flash Point: 126.5 °C; (14)Enthalpy of Vaporization: 52.47 kJ/mol; (15)Boiling Point: 285.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00277 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1CCN(CC1)C(=O)CN.Cl.Cl
(2)InChI: InChI=1S/C7H15N3O.2ClH/c1-9-2-4-10(5-3-9)7(11)6-8;;/h2-6,8H2,1H3;2*1H
(3)InChIKey: MSSSYVVCMQOTDS-UHFFFAOYSA-N