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| Name |
2-Propylamine, 1-(3-bromo-1-adamantyl)-N-methyl-, hydrochloride |
EINECS | N/A |
| CAS No. | 31898-11-0 | Density | g/cm3 |
| PSA | 12.03000 | LogP | 4.91120 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H24 Br N . Cl H | Boiling Point | 319.3°Cat760mmHg |
| Molecular Weight | 322.76 | Flash Point | 146.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Br−, NOx, and HCl. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Adamantaneethylamine,3-bromo-N,a-dimethyl-, hydrochloride (8CI);Tricyclo[3.3.1.13,7]decane-1-ethanamine, 3-bromo-N,a-dimethyl-, hydrochloride (9CI) |
2-Propylamine, 1-(3-bromo-1-adamantyl)-N-methyl-, hydrochloride Chemical Properties
Empirical Formula of 2-Propylamine, 1-(3-bromo-1-adamantyl)-N-methyl-, hydrochloride (CAS NO.31898-11-0): C14H25BrClN
Molecular Weight: 322.712 g/mol
Flash Point: 146.9 °C
Enthalpy of Vaporization: 56.09 kJ/mol
Boiling Point: 319.3 °C at 760 mmHg
Vapour Pressure: 0.000341 mmHg at 25 °C
Structure of 2-Propylamine, 1-(3-bromo-1-adamantyl)-N-methyl-, hydrochloride (CAS NO.31898-11-0):
IUPAC Name: 1-(3-Bromo-1-adamantyl)-N-methylpropan-2-amine hydrochloride
Canonical SMILES: CC(CC12CC3CC(C1)CC(C3)(C2)Br)NC.Cl
InChI: InChI=1S/C14H24BrN.ClH/c1-10(16-2)4-13-5-11-3-12(6-13)8-14(15,7-11)9-13;/h10-12,16H,3-9H2,1-2H3;1H
InChIKey: IBLIMURONGSVLV-UHFFFAOYSA-N
2-Propylamine, 1-(3-bromo-1-adamantyl)-N-methyl-, hydrochloride Toxicity Data With Reference
| 1. | orl-mus LD50:400 mg/kg | JMCMAR Journal of Medicinal Chemistry. 17 (1974),602. | ||
| 2. | ipr-mus LD50:150 mg/kg | JMCMAR Journal of Medicinal Chemistry. 17 (1974),602. |
2-Propylamine, 1-(3-bromo-1-adamantyl)-N-methyl-, hydrochloride Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition 2-Propylamine, 1-(3-bromo-1-adamantyl)-N-methyl-, hydrochloride (CAS NO.31898-11-0) emits very toxic fumes of Br−, NOx, and HCl.
2-Propylamine, 1-(3-bromo-1-adamantyl)-N-methyl-, hydrochloride Specification
2-Propylamine, 1-(3-bromo-1-adamantyl)-N-methyl-, hydrochloride , its cas register number is 13551-92-3. It also can be called Adamantane, 3-bromo-1-(2-methylaminopropyl)-, hydrochloride .
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