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CAS No.: | 64262-23-3 |
---|---|
Name: | 1-n-Propylpiperazine dihydrobromide |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H18Br2N2 |
Molecular Weight: | 290.041 |
Synonyms: | Piperazine,1-propyl-, dihydrobromide (6CI,9CI);1-(1-Propyl)piperazine dihydrobromide;1-Propylpiperazine dihydrobromide;N-Propylpiperazine dihydrobromide;AC1MJ48L;141674_ALDRICH;1-N-Propylpiperazine Dihydrobromide;SBB056132;CID3085288;P1645; |
EINECS: | 264-759-1 |
Melting Point: | 259.5-264.5 °C(lit.) |
Boiling Point: | 176.7 °C at 760 mmHg |
Flash Point: | 60.7 °C |
Appearance: | slightly yellow to light beige crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 15.27000 |
LogP: | 2.48450 |
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The Piperazine, 1-propyl-,hydrobromide (1:2), with CAS registry number of 64262-23-3, is also known as 1-N-propylpiperazine dihydrobromide. It belongs to categories of Nitrogen cyclic compounds; Building Blocks; Heterocyclic Building Blocks; Piperazines. Its IUPAC name is 1-Propylpiperazine dihydrobromide.
Physical properties about this chemical are: (1) ACD/LogP: 0.88; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -2.17; (4) ACD/LogD (pH 7.4): -1.08; (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: 2; (10) # H bond donors: 1; (11) # Freely Rotating Bonds: 2; (12) Polar Surface Area: 6.48 Å2; (13) Flash Point: 60.7 °C; (14) Enthalpy of Vaporization: 41.3 kJ/mol; (15) Boiling Point: 176.7 °C at 760 mmHg; (16) Vapour Pressure: 1.08 mmHg at 25°C.
When you are using Piperazine, 1-propyl-,hydrobromide (1:2), please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Br.Br.N1CCN(CCC)CC1
(2) InChI: InChI=1/C7H16N2.2BrH/c1-2-5-9-6-3-8-4-7-9;;/h8H,2-7H2,1H3;2*1H
(3) InChIKey: YTPQLWVHCBATKO-UHFFFAOYAG