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CAS No.: | 5845-30-7 |
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Name: | 3-bromo-N,N-dimethylpropan-1-amine hydrobromide |
Molecular Structure: | |
Formula: | C5H13Br2N |
Molecular Weight: | 246.97 |
Synonyms: | 1-Propanamine,3-bromo-N,N-dimethyl-, hydrobromide (9CI);Propylamine, 3-bromo-N,N-dimethyl-,hydrobromide (7CI,8CI);3-Bromo-N,N-dimethylpropan-1-amine hydrobromide;3-Dimethylaminopropyl bromide hydrobromide; |
EINECS: | 1312995-182-4 |
Density: | 1.45g/cm3 |
Melting Point: | 107-109 °C |
Boiling Point: | 198.5 °C at 760 mmHg |
Flash Point: | 73.8 °C |
PSA: | 3.24000 |
LogP: | 2.29110 |
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The 1-Propanamine,3-bromo-N,N-dimethyl-, hydrobromide (1:1), with the CAS registry number 5845-30-7, is also known as 3-Dimethylaminopropyl bromide hydrobromide. This chemical's molecular formula is C5H13Br2N and molecular weight is 246.97. What's more, its systematic name is 3-bromo-N,N-dimethylpropan-1-amine hydrobromide.
Physical properties of 1-Propanamine,3-bromo-N,N-dimethyl-, hydrobromide (1:1) are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Flash Point: 73.8 °C; (7)Enthalpy of Vaporization: 44.89 kJ/mol; (8)Boiling Point: 198.5 °C at 760 mmHg; (9)Vapour Pressure: 0.272 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-dimethylamino-propan-1-ol by heating. This reaction will need reagent aq. HBr. The yield is about 79%.
Uses of 1-Propanamine,3-bromo-N,N-dimethyl-, hydrobromide (1:1): it can be used to produce [3-(8-methoxy-indolo[3,2-c]quinolin-11-yl)-propyl]-dimethyl-amine at the temperature of 70 °C. It will need reagents benzyltriethylammonium chloride, 50% NaOH and solvent toluene with the reaction time of 5 hours. The yield is about 34%.
You can still convert the following datas into molecular structure:
(1)SMILES: Br.BrCCCN(C)C
(2)InChI: InChI=1/C5H12BrN.BrH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H
(3)InChIKey: IDBJSERXBDUKCD-UHFFFAOYAN