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Basic Information
CAS No.: 6442-10-0
Name: DIETHYL-(3-METHYL-4-NITROSO)-ANILINE
Article Data: 4
Molecular Structure:
Molecular Structure of 6442-10-0 (DIETHYL-(3-METHYL-4-NITROSO)-ANILINE)
Formula: C11H16N2O
Molecular Weight: 192.261
Synonyms: m-Toluidine,N,N-diethyl-4-nitroso- (7CI,8CI);N,N-Diethyl-3-methyl-4-nitrosoaniline;
EINECS: 229-238-5
Density: 1 g/cm3
Boiling Point: 316.6 °C at 760 mmHg
Flash Point: 145.3 °C
PSA: 32.67000
LogP: 3.23910
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Specification

The Benzenamine, N,N-diethyl-3-methyl-4-nitroso- is an organic compound with the formula C11H16N2O. The systematic name of this chemical is N,N-diethyl-3-methyl-4-nitrosoaniline. With the CAS registry number 6442-10-0 and EINECS 229-238-5, it is also named as N,N-Diethyl-4-nitroso-m-toluidine.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.54; (4)ACD/LogD (pH 7.4): 3.54; (5)ACD/BCF (pH 5.5): 289.63; (6)ACD/BCF (pH 7.4): 289.63; (7)ACD/KOC (pH 5.5): 2012.74; (8)ACD/KOC (pH 7.4): 2012.79; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.67 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 57.99 cm3; (15)Molar Volume: 191.3 cm3; (16)Surface Tension: 33.7 dyne/cm; (17)Density: 1 g/cm3; (18)Flash Point: 145.3 °C; (19)Enthalpy of Vaporization: 55.8 kJ/mol; (20)Boiling Point: 316.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000406 mmHg at 25°C.

Uses of Benzenamine, N,N-diethyl-3-methyl-4-nitroso-: It can react with 5-Hydroxy-4-methyl-naphth[2,1-d]1,3-oxathiol-2-on to get 9-diethylamino-6,11-dimethyl-benzo[a]phenothiazin-5-one. This reaction needs solvent acetic acid by heating. The reaction time is 10 min. The yield is 78%.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=Nc1c(cc(N(CC)CC)cc1)C
2. InChI:InChI=1/C11H16N2O/c1-4-13(5-2)10-6-7-11(12-14)9(3)8-10/h6-8H,4-5H2,1-3H3 
3. InChIKey:IXKRLNGTKXUSEI-UHFFFAOYAF