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1077-56-1

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Basic Information
CAS No.: 1077-56-1
Name: N-Ethyl-o-toluenesulfonamide
Molecular Structure:
Molecular Structure of 1077-56-1 (N-Ethyl-o-toluenesulfonamide)
Formula: C9H13NO2S
Molecular Weight: 199.274
Synonyms: o-Toluenesulfonamide,N-ethyl- (6CI,7CI,8CI);N-Ethyl-2-methylbenzenesulfonamide;
EINECS: 214-073-3
Density: 1.153 g/cm3
Melting Point: 344-350°C(lit.)
Boiling Point: 317.2 °C at 760 mmHg
Flash Point: 145.7 °C
PSA: 54.55000
LogP: 2.76490
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Chemistry

Molecule structure of N-Ethyl-o-toluenesulfonamide (CAS NO.1077-56-1):

IUPAC Name: N-Ethyl-2-methylbenzenesulfonamide 
Molecular Weight: 199.27002 g/mol
Molecular Formula: C9H13NO2S 
Density: 1.153 g/cm3 
Boiling Point: 317.2 °C at 760 mmHg 
Flash Point: 145.7 °C
Index of Refraction: 1.526
Molar Refractivity: 53.1 cm3
Molar Volume: 172.8 cm3
Surface Tension: 38.3 dyne/cm 
Enthalpy of Vaporization: 55.86 kJ/mol
Vapour Pressure: 0.00039 mmHg at 25 °C
XLogP3: 1.6
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 199.066699
MonoIsotopic Mass: 199.066699
Topological Polar Surface Area: 46.2
Heavy Atom Count: 13
Canonical SMILES: CCNS(=O)(=O)C1=CC=CC=C1C
InChI: InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3
InChIKey of N-Ethyl-o-toluenesulfonamide (CAS NO.1077-56-1): NATWUQFQFMZVMT-UHFFFAOYSA-N
EINECS: 214-073-3

Specification

 N-Ethyl-o-toluenesulfonamide (CAS NO.1077-56-1) is also named as Benzenesulfonamide, N-ethyl-2-methyl- ; HSDB 5782 ; o-Toluenesulfonamide, N-ethyl- .