1-(3-Hydroxypropyl)-4-methylpiperazine
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1-(3-Hydroxypropyl)-4-methylpiperazine
structure -
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CAS No:
5317-33-9
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Formula:
C8H18N2O
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Chemical Name:
1-(3-Hydroxypropyl)-4-methylpiperazine
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Synonyms:
1-Piperazinepropanol,4-methyl-;4-Methyl-1-piperazinepropanol;3-(4-Methyl-1-piperazinyl)propanol;1-Methyl-4-(3-hydroxypropyl)piperazine;1-(3-Hydroxypropyl)-4-methylpiperazine;3-(4-Methyl-1-piperazinyl)-1-propanol;NSC 351986;NSC 79874
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CAS No:
1-(3-Hydroxypropyl)-4-methylpiperazine Basic Attributes
158.24
158.24
226-177-6
351986
DTXSID80201235
2933599090
Safety Information
NONH for all modes of transport
3
36
24/25
Xi
P305 + P351 + P338
H319
|Warning|H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-(3-Hydroxypropyl)-4-methylpiperazine Use and Manufacturing
Intermediate 7: 3-(4-Methylpiperazin-1-yl)-propan-1-ol. Intermediate 9: 3-(4-Methylpiperazin-1-yl)-propan-1-ol. Intermediate 9: 3-(4-Methylpiperazin-1-yl)-propan-1-ol 3-(4-Methylpiperazin-1-yl)-propan-1-ol. 1-Methylpiperazine (6.99 mL, 63 mol) was dissolved in toluene (30 mL). 3-Bromopropanol (2.62 mL, 30 mmol) was added slowly and the mixture was stirred overnight. After heating to 80° C. for 2 h and cooling to r.t., the mixture was filtered and the filter cake was washed thoroughly with toluene. After removal of the toluene, the residue was subjected to Kugelrohr distillation (b.p., 180° C./2 mbar) to obtain a colourless oil (4.08 g, 25.8 mmol, 86percent). Synthesis of 3-(4-methylpiperazin-1-yl)-propan-1-ol: 1-Methylpiperazine (6.99 mL, 63 mol) was dissolved in toluene (30 mL). 3-Bromopropanol (2.62 mL, 30 mmol) was added slowly and the mixture was stirred overnight at r.t.. After heating to 80°C for 2 h and cooling to r.t., the mixture was filtered and the filter cake was thoroughly washed with toluene. After removal of the solvent, the residue was subjected to Kugelrohr distillation (b.p., 180°C / 2 mbar) to obtain a colourless oil (4.08 g, 25.8 mmol, 86percent). LC/ESI-MS: m/z = 159 [M+H].
Computed Properties
Molecular Weight:158.24
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:158.141913202
Monoisotopic Mass:158.141913202
Topological Polar Surface Area:26.7
Heavy Atom Count:11
Complexity:100
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-(3-Hydroxypropyl)-4-methylpiperazine
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