-
Name
2-{[1-(2-chlorophenoxy)propan-2-yl](ethyl)amino}-N,N-diethyl-2-oxoethanaminium chloride
- EINECS
- CAS No. 102585-42-2
- Density
- Solubility
- Melting Point
- Formula C17H27 Cl N2 O2 . Cl H
- Boiling Point 432°C at 760 mmHg
- Molecular Weight 363.37
- Flash Point 215.1°C
- Transport Information
- Appearance
- Safety Poison by subcutaneous route. An eye irritant. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Acetamide,N-[2-(2-chlorophenoxy)-1-methylethyl]-2-(diethylamino)-N-ethyl-,monohydrochloride (9CI)
- PSA
- LogP
N-(1-(o-Chlorophenoxy)-2-propyl)-2-(diethylamino)-N-ethylacetamide hydrochloride Chemical Properties
Molecule structure of N-(1-(o-Chlorophenoxy)-2-propyl)-2-(diethylamino)-N-ethylacetamide hydrochloride (CAS NO.102585-42-2):
IUPAC Name: [2-[1-(2-Chlorophenoxy)propan-2-yl-ethylamino]-2-oxoethyl]-diethylazanium chloride
Molecular Weight: 363.32242 g/mol
Molecular Formula: C17H28Cl2N2O2
Boiling Point: 432 °C at 760 mmHg
Flash Point: 215.1 °C
Enthalpy of Vaporization: 68.77 kJ/mol
Vapour Pressure: 1.15E-07 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 9
Exact Mass: 362.152784
MonoIsotopic Mass: 362.152784
Topological Polar Surface Area: 34
Heavy Atom Count: 23
Complexity: 324
Canonical SMILES: CC[NH+](CC)CC(=O)N(CC)C(C)COC1=CC=CC=C1Cl.[Cl-]
InChI: InChI=1S/C17H27ClN2O2.ClH/c1-5-19(6-2)12-17(21)20(7-3)14(4)13-22-16-11-9-8-10-15(16)18;/h8-11,14H,5-7,12-13H2,1-4H3;1H
InChIKey of N-(1-(o-Chlorophenoxy)-2-propyl)-2-(diethylamino)-N-ethylacetamide hydrochloride (CAS NO.102585-42-2): CTAWIBCFDKECSW-UHFFFAOYSA-N
N-(1-(o-Chlorophenoxy)-2-propyl)-2-(diethylamino)-N-ethylacetamide hydrochloride Toxicity Data With Reference
| 1. | eye-rbt 2% MLD | ARZNAD Arzneimittel-Forschung. Drug Research. 9 (1959),70. | ||
| 2. | scu-mus LD50:200 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 9 (1959),70. |
N-(1-(o-Chlorophenoxy)-2-propyl)-2-(diethylamino)-N-ethylacetamide hydrochloride Safety Profile
Poison by subcutaneous route. An eye irritant. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
N-(1-(o-Chlorophenoxy)-2-propyl)-2-(diethylamino)-N-ethylacetamide hydrochloride Specification
N-(1-(o-Chlorophenoxy)-2-propyl)-2-(diethylamino)-N-ethylacetamide hydrochloride (CAS NO.102585-42-2) is also named as C 2096 ; Acetamide, N-(1-(o-chlorophenoxy)-2-propyl)-2-(diethylamino)-N-ethyl-, hydrochloride .
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