Benzamide,N-(4-amino-2,5-dimethoxyphenyl)- supplier

Name
CI 37155
EINECS 228-441-6
CAS No. 6268-05-9
Article Data6
CAS DataBase
Density 1.245 g/cm³
Solubility
Melting Point 165-168 °C
Formula C₁₅H₁₆N₂O₃
Boiling Point 378.2 °C at 760 mmHg
Molecular Weight 272.304
Flash Point 182.5 °C
Transport Information
Appearance purple-brown powder
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms NSC 50201;Neutrosel Blue R;Sanyo Fast Blue RR Base;Sanyo FastBlue Salt RR;Benzanilide,4'-amino-2',5'-dimethoxy- (6CI,7CI,8CI);2,5-Dimethoxy-4-(benzoylamino)aniline;4-Amino-1-(benzoylamino)-3,6-dimethoxybenzene;4-Benzoylamino-2,5-dimethoxyaniline;4'-Amino-2',5'-dimethoxybenzanilide;5-Amino-2-(benzoylamino)-1,4-dimethoxybenzene;Azoene Fast Blue RR Base;AzoeneFast Blue RR Salt;Blue Salt NRR;Daito Blue Base RR;Daito Blue Salt RR;FastBlue MR Base;Fast Blue RR Base;Fast Blue Salt RR;Fast Navy DR;Hiltonil FastBlue RR Base;Mitsui Blue RR Salt;N-(4-Amino-2,5-dimethoxyphenyl)benzamide;NSC 37139;
PSA 73.58000
LogP 3.19250

Benzamide,N-(4-amino-2,5-dimethoxyphenyl)- Specification

The Benzamide,N-(4-amino-2,5-dimethoxyphenyl)-, with the CAS registry number 6268-05-9, is also known as 2,5-Dimethoxy-4-(benzoylamino)aniline. Its EINECS number is 228-441-6. This chemical's molecular formula is C₁₅H₁₆N₂O₃ and molecular weight is 272.3. What's more, its IUPAC name is N-(4-amino-2,5-dimethoxyphenyl)benzamide.

Physical properties of Benzamide,N-(4-amino-2,5-dimethoxyphenyl)- are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.27; (5)ACD/BCF (pH 5.5): 4.79; (6)ACD/BCF (pH 7.4): 5.41; (7)ACD/KOC (pH 5.5): 103.2; (8)ACD/KOC (pH 7.4): 116.49; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 42.01 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 78.42 cm³; (15)Molar Volume: 218.5 cm³; (16)Polarizability: 31.08×10^-24cm³; (17)Surface Tension: 51.6 dyne/cm; (18)Density: 1.245 g/cm³; (19)Flash Point: 182.5 °C; (20)Enthalpy of Vaporization: 62.61 kJ/mol; (21)Boiling Point: 378.2 °C at 760 mmHg; (22)Vapour Pressure: 6.38E-06 mmHg at 25°C.

Preparation of Benzamide,N-(4-amino-2,5-dimethoxyphenyl)-: this chemical can be prepared by benzoic acid-(2,5-dimethoxy-4-nitro-anilide) by heating. This reaction will need reagents tin, HCl and solvent aq. ethanol with the reaction time of 3 hours. It's a reaction of reduction. The yield is about 89%.

Benzamide,N-(4-amino-2,5-dimethoxyphenyl)- can be prepared by benzoic acid-(2,5-dimethoxy-4-nitro-anilide) by heating

Uses of Benzamide,N-(4-amino-2,5-dimethoxyphenyl)-: it can be used to produce N-[2,5-dimethoxy-4-(toluene-4-sulfonylamino)-phenyl]-benzamide at the temperature of 20 °C. It will need reagent pyridine with the reaction time of 24 hours. The yield is about 90%.

Benzamide,N-(4-amino-2,5-dimethoxyphenyl)- can be used to produce N-[2,5-dimethoxy-4-(toluene-4-sulfonylamino)-phenyl]-benzamide at the temperature of 20 °C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=C(C=C1N)OC)NC(=O)C2=CC=CC=C2
(2)InChI: InChI=1S/C15H16N2O3/c1-19-13-9-12(14(20-2)8-11(13)16)17-15(18)10-6-4-3-5-7-10/h3-9H,16H2,1-2H3,(H,17,18)
(3)InChIKey: DDRCIGNRLHTTIW-UHFFFAOYSA-N

Product Name

CI 37155

Benzamide,N-(4-amino-2,5-dimethoxyphenyl)- Specification

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