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| Name |
Ammonium, (4-biphenylcarbonylmethyl)dimethyl(2-hydroxyethyl)-, bromide |
EINECS | N/A |
| CAS No. | 77985-00-3 | Density | N/A |
| PSA | 37.30000 | LogP | -0.39100 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C18H22 N O2 . Br | Boiling Point | N/A |
| Molecular Weight | 364.32 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and Br−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
[1,1'-Biphenyl]-4-ethanaminium,N-(2-hydroxyethyl)-N,N-dimethyl-b-oxo-, bromide (9CI) |
Ammonium, (4-biphenylcarbonylmethyl)dimethyl(2-hydroxyethyl)-, bromide Chemical Properties
Molecular Structure of Ammonium, (4-biphenylcarbonylmethyl)dimethyl(2-hydroxyethyl)-, bromide (CAS NO. 77985-00-3):
IUPAC Name: 2-Hydroxyethyl-dimethyl-[2-oxo-2-(4-phenylphenyl)ethyl]azanium bromide
Molecular Formula: C18H22BrNO2
Molecular Weight: 364.276780 g/mol
H-Bond Donor: 1
H-Bond Acceptor: 3
Freely Rotating Bonds: 7
Canonical SMILES: C[N+](C)(CCO)CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2.[Br-]
InChI: InChI=1S/C18H22NO2.BrH/c1-19(2,12-13-20)14-18(21)17-10-8-16(9-11-17)15-6-4-3-5-7-15;/h3-11,20H,12-14H2,1-2H3;1H/q+1;/p-1
InChIKey: QSWIBFIOVMXNHP-UHFFFAOYSA-M
Polar Surface Area of Ammonium, (4-biphenylcarbonylmethyl)dimethyl(2-hydroxyethyl)-, bromide (CAS NO. 77985-00-3): 26.3Å2
Ammonium, (4-biphenylcarbonylmethyl)dimethyl(2-hydroxyethyl)-, bromide Toxicity Data With Reference
| 1. | ipr-mus LD50:2500 µg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 115 (1955),127. |
Ammonium, (4-biphenylcarbonylmethyl)dimethyl(2-hydroxyethyl)-, bromide Safety Profile
A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and Br−.
Ammonium, (4-biphenylcarbonylmethyl)dimethyl(2-hydroxyethyl)-, bromide Specification
Ammonium, (4-biphenylcarbonylmethyl)dimethyl(2-hydroxyethyl)-, bromide with cas registry number of 77985-00-3 is also named as (4-Biphenylcarbonylmethyl)dimethyl(2-hydroxyethyl)ammonium bromide .
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