-
Name
1-(2-{[ethyl(1-phenoxypropan-2-yl)carbamoyl]oxy}ethyl)-2-methylpiperidinium chloride
- EINECS
- CAS No. 101491-83-2
- Density
- Solubility
- Melting Point
- Formula C20H32 N2 O3 . Cl H
- Boiling Point 460.4°C at 760 mmHg
- Molecular Weight 385.00
- Flash Point 232.2°C
- Transport Information
- Appearance
- Safety Poison by subcutaneous route. An eye irritant. When heated to decomposition it emits very toxic fumes of NOx and HCl. See also CARBAMATES.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
N-Ethyl-N-(1-phenoxy-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester hydrochloride Chemical Properties
IUPAC Name: 2-(2-methylpiperidin-1-ium-1-yl)ethyl N-ethyl-N-(1-phenoxypropan-2-yl)carbamate chloride
Empirical Formula: C20H33ClN2O3
Molecular Weight: 384.9406g/mol
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 9
Exact Mass: 384.217971
MonoIsotopic Mass: 384.217971
Topological Polar Surface Area: 43.2
Heavy Atom Count: 26
Formal Charge: 0
Complexity: 385
Flash Point: 232.2 °C
Enthalpy of Vaporization: 72.1 kJ/mol
Boiling Point: 460.4 °C at 760 mmHg
Vapour Pressure: 1.17E-08 mmHg at 25°C
Canonical SMILES: CCN(C(C)COC1=CC=CC=C1)C(=O)OCC[NH+]2CCCCC2C.[Cl-]
InChI: InChI=1S/C20H32N2O3.ClH/c1-4-22(18(3)16-25-19-11-6-5-7-12-19)20(23)24-
15-14-21-13-9-8-10-17(21)2;/h5-7,11-12,17-18H,4,8-10,13-16H2,1-3H3;1H
InChIKey: FNWLKZTVUIGNSI-UHFFFAOYSA-N
Structure of N-Ethyl-N-(1-phenoxy-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester hydrochloride (CAS NO.101491-83-2):
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N-Ethyl-N-(1-phenoxy-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester hydrochloride Toxicity Data With Reference
| 1. | eye-rbt 2% MLD | ARZNAD Arzneimittel-Forschung. Drug Research. 9 (1959),113. | ||
| 2. | scu-mus LD50:300 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 9 (1959),113. |
N-Ethyl-N-(1-phenoxy-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester hydrochloride Safety Profile
Poison by subcutaneous route. An eye irritant. When heated to decomposition it emits very toxic fumes of NOx and HCl. See also CARBAMATES.
N-Ethyl-N-(1-phenoxy-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester hydrochloride Specification
N-Ethyl-N-(1-phenoxy-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester hydrochloride , its cas register number is 101491-83-2. It also can be C 2126 ; Carbamic acid, N-ethyl-N-(1-phenoxy-2-propyl)-, 2-(2-methylpiperidino)ethyl ester, hydrochloride . And N-Ethyl-N-(1-phenoxy-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester hydrochloride (CAS NO.101491-83-2) will cause an eye irritant. When heated to decomposition it emits very toxic fumes of NOx and HCl.
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