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Cas Database |
| Name |
Benzenemethanamine,4-bromo-α-methyl-, hydrochloride (1:1), (αS)- |
EINECS | 604-604-1 |
| CAS No. | 84499-77-4 | Density | N/A |
| PSA | 26.02000 | LogP | 3.97110 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H11BrClN | Boiling Point | 294.5 °C at 760 mmHg |
| Molecular Weight | 236.539 | Flash Point | 131.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzenemethanamine,4-bromo-α-methyl-, hydrochloride, (S)-;Benzenemethanamine, 4-bromo-α-methyl-,hydrochloride, (αS)- (9CI);Benzenemethanamine, 4-bromo-α-methyl-, hydrochloride (1:1);1-(4-Bromophenyl)ethylamine hydrochloride; |
Article Data | 4 |
Benzenemethanamine,4-bromo-α-methyl-, hydrochloride (1:1), (αS)- Specification
The Benzenemethanamine,4-bromo-α-methyl-, hydrochloride (1:1), (αS)-, with the CAS registry number 84499-77-4, is also known as 1-(4-Bromophenyl)ethylamine hydrochloride. This chemical's molecular formula is C8H11BrClN and molecular weight is 236.54. What's more, its systematic name is 1-(4-bromophenyl)ethanamine hydrochloride (1:1).
Physical properties of Benzenemethanamine,4-bromo-α-methyl-, hydrochloride (1:1), (αS)- are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.49; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.02 Å2; (12)Flash Point: 131.9 °C; (13)Enthalpy of Vaporization: 54.49 kJ/mol; (14)Boiling Point: 294.5 °C at 760 mmHg; (15)Vapour Pressure: 0.00122 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.NC(C)c1ccc(Br)cc1
(2)InChI: InChI=1/C8H10BrN.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h2-6H,10H2,1H3;1H
(3)InChIKey: BQCAANUXMMQVAY-UHFFFAOYAN
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