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5845-29-4

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Basic Information
CAS No.: 5845-29-4
Name: 3-(N-Methylpiperazine)-propyl bromide dihydrobromide
Molecular Structure:
Molecular Structure of 5845-29-4 (3-(N-Methylpiperazine)-propyl bromide dihydrobromide)
Formula: C8H19Br3N2
Molecular Weight: 382.964
Synonyms: Piperazine,1-(3-bromopropyl)-4-methyl-, dihydrobromide (7CI,8CI,9CI);1-(3-Bromopropyl)-4-methylpiperazinedihydrobromide;3-(4-Methylpiperazin-1-yl)propyl bromide dihydrobromide;Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-11,17-dihydroxy-, (11b)-;Piperazine,1-(3-bromopropyl)-4-methyl-, hydrobromide (1:2);
Density: 1.257g/cm3
Melting Point: 258-260 °C
Boiling Point: 337.8 °C at 760 mmHg
Flash Point: 158.1 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 6.48000
LogP: 2.81080
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Chemistry


Systematic Name: 1-(3-Bromopropyl)-4-methylpiperazine dihydrobromide 
SMILES: Br.Br.CN1CCN(CCCBr)CC1
InChI: InChI=1/C8H17BrN2.2BrH/c1-10-5-7-11(8-6-10)4-2-3-9;;/h2-8H2,1H3;2*1H
InChIKey: WAXWAIBJJHOUBZ-UHFFFAOYAK 
Empirical Formula: C8H19Br3N2
Molecular Weight: 382.9619 
Flash Point: 158.1 °C
Enthalpy of Vaporization: 59.96 kJ/mol
Boiling Point: 337.8 °C at 760 mmHg
Vapour Pressure of 3-(N-Methylpiperazine)-propyl bromide dihydrobromide (CAS NO.5845-29-4): 5.97E-05 mmHg at 25 °C

Safety Profile

Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements of 3-(N-Methylpiperazine)-propyl bromide dihydrobromide (CAS NO.5845-29-4): 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.

Specification

  3-(N-Methylpiperazine)-propyl bromide dihydrobromide (CAS NO.5845-29-4), its Synonyms are Piperazine,1-(3-bromopropyl)-4-methyl-, dihydrobromide (7CI,8CI,9CI) ; 1-(3-Bromopropyl)-4-methylpiperazinedihydrobromide ; 3-(4-Methylpiperazin-1-yl)propyl bromide dihydrobromide ; Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-11,17-dihydroxy-, (11b)- ; Piperazine,1-(3-bromopropyl)-4-methyl-, hydrobromide (1:2) .