IUPAC Name: [2-(N-butyl-2,6-dimethylanilino)-2-oxoethyl]-ethylazanium chloride
Empirical Formula: C16H27ClN2O
Molecular Weight: 298.8514g/mol
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 7
Exact Mass: 298.181191
MonoIsotopic Mass: 298.181191
Topological Polar Surface Area: 36.9
Heavy Atom Count: 20
Formal Charge: 0
Complexity: 258
Flash Point: 188.2 °C
Enthalpy of Vaporization: 63.67 kJ/mol
Boiling Point: 387.6 °C at 760 mmHg
Vapour Pressure: 3.25E-06 mmHg at 25°C
Canonical SMILES: CCCCN(C1=C(C=CC=C1C)C)C(=O)C[NH2+]CC.[Cl-]
InChI: InChI=1S/C16H26N2O.ClH/c1-5-7-11-18(15(19)12-17-6-2)16-13(3)9-8-10-14(16)4;/h8-10,17H,5-7,11-12H2,1-4H3;1H
InChIKey: VMPGCEHXSCPZRV-UHFFFAOYSA-N
Structure of N-Butyl-2-(ethylamino)-2',6'-acetoxylidide hydrochloride (CAS NO.77966-77-9):
1. | eye-rbt 2% MLD | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),609. | ||
2. | ipr-rat LD50:72 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),609. | ||
3. | scu-mus LD50:125 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),609. |
Poison by intraperitoneal and subcutaneous routes. An eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx.
N-Butyl-2-(ethylamino)-2',6'-acetoxylidide hydrochloride , its cas register number is 77966-77-9. It also can be called C 3164 ; 2',6'-Acetoxylidide, N-butyl-2-(ethylamino)-, hydrochloride . When heated to decomposition it emits very toxic fumes of HCl and NOx. And N-Butyl-2-(ethylamino)-2',6'-acetoxylidide hydrochloride (CAS NO.77966-77-9) will caues an eye irritant.
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