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CAS No.: | 65920-56-1 |
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Name: | 4-(bromomethyl)piperidine hydrobromide |
Molecular Structure: | |
Formula: | C6H13Br2N |
Molecular Weight: | 258.984 |
Synonyms: | 4-(Bromomethyl)piperidine hydrobromide (1:1); Piperidine, 4-(bromomethyl)-, hydrobromide (1:1) |
Boiling Point: | 254.7 °C at 760 mmHg |
Flash Point: | 107.8 °C |
PSA: | 12.03000 |
LogP: | 2.66780 |
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The systematic name of this chemical is 4-Bromomethylpiperidine Hydrobromide. With the CAS registry number 65920-56-1, it is also known as Piperidine, 4-(bromomethyl)-, hydrobromide (1:1). Its molecular formula is C6H13Br2N and molecular weight is 258.9821.
Physical properties about the 4-Bromomethylpiperidine Hydrobromide are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 12.03 Å2; (11)Flash Point: 107.8 °C; (12)Enthalpy of Vaporization: 50.81 kJ/mol; (13)Boiling Point: 254.7 °C at 760 mmHg; (14)Vapour Pressure: 0.0117 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Br.BrCC1CCNCC1
(2) InChI: InChI=1/C6H12BrN.BrH/c7-5-6-1-3-8-4-2-6;/h6,8H,1-5H2;1H
(3) InChIKey: YQNLBRMAXPPMNV-UHFFFAOYAY