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CAS No.: | 69447-84-3 |
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Name: | 4-Nitrophenylethylamine hydrobromide |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H10N2O2.BrH |
Molecular Weight: | 247.092 |
Synonyms: | 2-(4-Nnitrophenyl)ethan-1-amine hydrobromide;Benzeneethanamine,4-nitro-, monohydrobromide (9CI);4-Nitrophenylethylamine HBr; |
Melting Point: | 218 °C |
Boiling Point: | 340.9 °C at 760 mmHg |
Flash Point: | 159.9 °C |
PSA: | 71.84000 |
LogP: | 3.27760 |
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The 4-Nitrophenylethylamine hydrobromide with CAS registry number of 69447-84-3 is also known as 2-(4-Nnitrophenyl)ethan-1-amine hydrobromide. The IUPAC name is 1-(4-Nitrophenyl)ethanamine hydrobromide. In addition, the formula is C8H10N2O2.BrH and the molecular weight is 247.09.
Physical properties about 4-Nitrophenylethylamine hydrobromide are: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 71.84Å2; (7)Flash Point: 159.9 °C; (8)Enthalpy of Vaporization: 60.3 kJ/mol; (9)Boiling Point: 340.9 °C at 760 mmHg; (10)Vapour Pressure: 4.85E-05 mmHg at 25 °C
You can still convert the following datas into molecular structure:
1. SMILES: Br.NCCc1ccc(cc1)N(=O)=O
2. InChI: InChI=1/C8H10N2O2.BrH/c9-6-5-7-1-3-8(4-2-7)10(11)12;/h1-4H,5-6,9H2;1H
3. InChIKey: IXEDXMYYHOYVRD-UHFFFAOYAO