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Basic Information
CAS No.: 60735-64-0
Name: N-[4-(N,N-diethylalanyl)phenyl]methanesulfonamide hydrochloride
Molecular Structure:
Molecular Structure of 60735-64-0 (N-[4-(N,N-diethylalanyl)phenyl]methanesulfonamide hydrochloride)
Formula: C14H22N2O3S•ClH
Molecular Weight: 334.90
Boiling Point: 437.7°C at 760 mmHg
Flash Point: 218.5°C
Hazard Symbols: Moderately toxic by ingestion.
Safety: Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic vapors of NOx, HCl, and Cl−.
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Chemistry


IUPAC Name: N-[4-[2-(diethylamino)propanoyl]phenyl]methanesulfonamide hydrochloride
Molecular Formula: C14H23ClN2O3S
Molecular Weight: 334.862020 g/mol
Canonical SMILES: CS(=O)(=O)Nc1ccc(cc1)C([C@@H](C)N(CC)CC)=O.Cl
InChI: InChI=1/C14H22N2O3S.ClH/c1-5-16(6-2)11(3)14(17)12-7-9-13(10-8-12)15-20(4,18)19;/h7-11,15H,5-6H2,1-4H3;1H 
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 7
Tautomer Count: 7
Exact Mass: 334.111791
MonoIsotopic Mass: 334.111791
Topological Polar Surface Area: 66.5
Heavy Atom Count: 21
Complexity: 405
Flash Point: 218.5 °C
Enthalpy of Vaporization: 69.44 kJ/mol
Boiling Point: 437.7 °C at 760 mmHg
Vapour Pressure of Methanesulfonamide, N-(4-(2-(diethylamino)-1-oxopropyl)phenyl)-, monohydrochloride (CAS NO.60735-64-0): 7.29E-08 mmHg at 25 °C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
monkey LD50 oral > 800mg/kg (800mg/kg)   United States Patent Document. Vol. #3979514,
mouse LD50 intraperitoneal 746mg/kg (746mg/kg)   United States Patent Document. Vol. #3979514,
mouse LD50 oral 1514mg/kg (1514mg/kg)   United States Patent Document. Vol. #3979514,
rat LD50 oral 2347mg/kg (2347mg/kg)   United States Patent Document. Vol. #3979514,

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition Methanesulfonamide, N-(4-(2-(diethylamino)-1-oxopropyl)phenyl)-, monohydrochloride (CAS NO.60735-64-0) emits toxic vapors of NOx, HCl, and Cl−.

Specification

 Methanesulfonamide, N-(4-(2-(diethylamino)-1-oxopropyl)phenyl)-, monohydrochloride (CAS NO.60735-64-0 ) can be called 4'-(N,N-Diethylalanyl)methanesulfonanilide hydrochloride ; N-(4-(2-(Diethylamino)-1-oxopropyl)phenyl)methanesulfonamide monohydrochloride and so on.