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78218-43-6

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Basic Information
CAS No.: 78218-43-6
Name: N-butyl-2-butylamino-N-(2,6-dimethylphenyl)propanamide hydrochloride
Molecular Structure:
Molecular Structure of 78218-43-6 (N-butyl-2-butylamino-N-(2,6-dimethylphenyl)propanamide hydrochloride)
Formula: C19H32 N2 O . Cl H
Molecular Weight: 340.99
Synonyms: Propanamide,N-butyl-2-(butylamino)-N-(2,6-dimethylphenyl)-, monohydrochloride (9CI)
Boiling Point: 424.4°C at 760 mmHg
Flash Point: 210.5°C
Safety: Poison by intraperitoneal and subcutaneous routes. A severe eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also AMINES.
PSA: 32.34000
LogP: 5.40760
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Chemistry

IUPAC Name: N-butyl-2-(butylamino)-N-(2,6-dimethylphenyl)propanamide hydrochloride 
Empirical Formula: C19H33ClN2O
Molecular Weight: 340.9311g/mol 
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 9
Exact Mass: 340.228141
MonoIsotopic Mass: 340.228141
Topological Polar Surface Area: 32.3
Heavy Atom Count: 23
Formal Charge: 0
Complexity: 309
Flash Point: 210.5 °C
Enthalpy of Vaporization: 67.89 kJ/mol
Boiling Point: 424.4 °C at 760 mmHg
Vapour Pressure: 2.07E-07 mmHg at 25°C
Canonical SMILES: CCCCNC(C)C(=O)N(CCCC)C1=C(C=CC=C1C)C.Cl
InChI: InChI=1S/C19H32N2O.ClH/c1-6-8-13-20-17(5)19(22)21(14-9-7-2)18-15(3)11-10-12-16(18)4;/h10-12,17,20H,6-9,13-14H2,1-5H3;1H
InChIKey: RSTQWXFEGFUXNL-UHFFFAOYSA-N
Structure of  N-Butyl-2-(butylamino)-2',6'-propionoxylidide hydrochloride (CAS NO.78218-43-6):

Toxicity Data With Reference

1.    

eye-rbt 2% SEV

    ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),609.
2.    

ipr-rat LD50:68 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),609.
3.    

scu-mus LD50:256 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),609.

Safety Profile

Poison by intraperitoneal and subcutaneous routes. A severe eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also AMINES.

Specification

   N-Butyl-2-(butylamino)-2',6'-propionoxylidide hydrochloride , its cas register number is 78218-43-6. It also can be called C 3160 ;  2',6'-Propionoxylidide, N-butyl-2-(butylamino)-, hydrochloride . And N-Butyl-2-(butylamino)-2',6'-propionoxylidide hydrochloride (CAS NO.78218-43-6) will cause a severe eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx.