Benzoic acid, 2-amino-4,5-diethoxy- supplier

Name
6-AMINO-3,4-DIETHOXYBENZOIC ACID
EINECS
CAS No. 20197-72-2
Article Data3
CAS DataBase
Density 1.215 g/cm³
Solubility
Melting Point 135-136℃ (decomposition) (ethanol )
Formula C₁₁H₁₅NO₄
Boiling Point 379.8 °C at 760 mmHg
Molecular Weight 225.244
Flash Point 183.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Amino-4,5-diethoxybenzoic acid;6-Amino-3,4-diethoxybenzoic acid;
PSA 81.78000
LogP 2.34560

Benzoic acid, 2-amino-4,5-diethoxy- Specification

The Benzoic acid, 2-amino-4,5-diethoxy-, with the CAS registry number 20197-72-2, is also known as 6-Amino-3,4-diethoxybenzoic acid. It belongs to the product category of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. This chemical's molecular formula is C₁₁H₁₅NO₄ and molecular weight is 225.24. What's more, its systematic name is 2-amino-4,5-diethoxybenzoic acid.

Physical properties of Benzoic acid, 2-amino-4,5-diethoxy- are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): -0.27; (5)ACD/BCF (pH 5.5): 4.62; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 61.13; (8)ACD/KOC (pH 7.4): 1.22; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 48 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 60.04 cm³; (15)Molar Volume: 185.2 cm³; (16)Polarizability: 23.8×10^-24cm³; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.215 g/cm³; (19)Flash Point: 183.5 °C; (20)Enthalpy of Vaporization: 66.23 kJ/mol; (21)Boiling Point: 379.8 °C at 760 mmHg; (22)Vapour Pressure: 1.91E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(cc(OCC)c(OCC)c1)N
(2)InChI: InChI=1S/C11H15NO4/c1-3-15-9-5-7(11(13)14)8(12)6-10(9)16-4-2/h5-6H,3-4,12H2,1-2H3,(H,13,14)
(3)InChIKey: KXEWHLXSXBEBMU-UHFFFAOYSA-N

Product Name

6-AMINO-3,4-DIETHOXYBENZOIC ACID

Benzoic acid, 2-amino-4,5-diethoxy- Specification

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