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| Name |
N-(2-(Diethylamino)ethyl)carbamic acid, 6-chloro-o-tolyl ester |
EINECS | N/A |
| CAS No. | 77985-23-0 | Density | g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H21ClN2O2•ClH | Boiling Point | 370.2°Cat760mmHg |
| Molecular Weight | 321.28 | Flash Point | 177.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal and subcutaneous routes. An eye irritant. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also CARBAMATES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
N-(2-(Diethylamino)ethyl)carbamic acid, 6-chloro-o-tolyl ester Chemical Properties
Molecule structure of N-(2-(Diethylamino)ethyl)carbamic acid, 6-chloro-o-tolyl ester hydrochloride (CAS NO.77985-23-0) :
IUPAC Name: 2-[(2-chloro-6-methylphenoxy)carbonylamino]ethyl-diethylazanium chloride
Molecular Weight: 321.24268 g/mol
Molecular Formula: C14H22Cl2N2O2
Boiling Point: 370.2 °C at 760 mmHg
Flash Point: 177.7 °C
Enthalpy of Vaporization: 61.71 kJ/mol
Vapour Pressure: 1.12E-05 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 7
Tautomer Count: 2
Exact Mass: 320.105833
MonoIsotopic Mass: 320.105833
Topological Polar Surface Area: 42.8
Heavy Atom Count: 20
Complexity: 272
Canonical SMILES: CC[NH+](CC)CCNC(=O)OC1=C(C=CC=C1Cl)C.[Cl-]
InChI: InChI=1S/C14H21ClN2O2.ClH/c1-4-17(5-2)10-9-16-14(18)19-13-11(3)7-6-8-12(13)15;/h6-8H,4-5,9-10H2,1-3H3,(H,16,18);1H
InChIKey of N-(2-(Diethylamino)ethyl)carbamic acid, 6-chloro-o-tolyl ester hydrochloride (CAS NO.77985-23-0) : QPHHKBFGUODEEJ-UHFFFAOYSA-N
N-(2-(Diethylamino)ethyl)carbamic acid, 6-chloro-o-tolyl ester Toxicity Data With Reference
| 1. | eye-rbt 2% MLD | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),708. | ||
| 2. | ipr-rat LD50:52 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),708. | ||
| 3. | scu-mus LD50:84 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),708. |
N-(2-(Diethylamino)ethyl)carbamic acid, 6-chloro-o-tolyl ester Safety Profile
Poison by intraperitoneal and subcutaneous routes. An eye irritant. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also CARBAMATES.
N-(2-(Diethylamino)ethyl)carbamic acid, 6-chloro-o-tolyl ester Specification
N-(2-(Diethylamino)ethyl)carbamic acid, 6-chloro-o-tolyl ester hydrochloride (CAS NO.77985-23-0) is also called C 5307 ; Carbamic acid, N-(2-(diethylamino)ethyl)-, 6-chloro-o-tolyl ester, hydrochloride .
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