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3',4'-Diethyl-4-dimethylaminoazo-benzene

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Name

3',4'-Diethyl-4-dimethylaminoazo-benzene

EINECS N/A
CAS No. 17010-64-9 Density 0.99 g/cm3
PSA 27.96000 LogP 5.29280
Solubility N/A Melting Point N/A
Formula C18H23N3 Boiling Point 429.6 °C at 760 mmHg
Molecular Weight 281.44 Flash Point 213.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 17010-64-9 (4-[(3,4-Diethylphenyl)azo]-N,N-dimethylbenzenamine) Hazard Symbols N/A
Synonyms

Aniline,p-[(3,4-diethylphenyl)azo]-N,N-dimethyl- (8CI);Benzenamine,4-[(3,4-diethylphenyl)azo]-N,N-dimethyl- (9CI);3',4'-Diethyl-4-dimethylaminoazobenzene;3',4'-Et2DAB;N,N-Dimethyl-p-(3,4-diethylphenylazo)aniline;NSC 170588;p-[(3,4-Diethylphenyl)azo]-N,N-dimethylaniline;

 

3',4'-Diethyl-4-dimethylaminoazo-benzene Specification

The 3',4'-Diethyl-4-dimethylaminoazo-benzene, with CAS registry number 17010-64-9, has the systematic name of 4-[(E)-(3,4-diethylphenyl)diazenyl]-N,N-dimethylaniline. And the chemical formula of this chemical is C18H23N3. What's more, its classification code is Tumor data.

Physical properties of 3',4'-Diethyl-4-dimethylaminoazo-benzene: (1)ACD/LogP: 6.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.41; (4)ACD/LogD (pH 7.4): 6.41; (5)ACD/BCF (pH 5.5): 43878.09; (6)ACD/BCF (pH 7.4): 43963.88; (7)ACD/KOC (pH 5.5): 73157.65; (8)ACD/KOC (pH 7.4): 73300.68; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 27.96 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 89.72 cm3; (15)Molar Volume: 282 cm3; (16)Polarizability: 35.57×10-24cm3; (17)Surface Tension: 34.4 dyne/cm; (18)Enthalpy of Vaporization: 68.49 kJ/mol; (19)Vapour Pressure: 1.39E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N(=N/c1ccc(c(c1)CC)CC)\c2ccc(N(C)C)cc2
(2)InChI: InChI=1/C18H23N3/c1-5-14-7-8-17(13-15(14)6-2)20-19-16-9-11-18(12-10-16)21(3)4/h7-13H,5-6H2,1-4H3/b20-19+
(3)InChIKey: CZYRWPWBQBTNDB-FMQUCBEEBB
(4)Std. InChI: InChI=1S/C18H23N3/c1-5-14-7-8-17(13-15(14)6-2)20-19-16-9-11-18(12-10-16)21(3)4/h7-13H,5-6H2,1-4H3/b20-19+
(5)Std. InChIKey: CZYRWPWBQBTNDB-FMQUCBEESA-N

The toxicity data is as follows:

1.    

orl-rat TDLo:8467 mg/kg/36W-C:CAR

    CBINA8    Chemico-Biological Interactions. 53 (1985),107.

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