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| CAS No.: | 3403-47-2 |
|---|---|
| Name: | 5-AMINO-2-METHOXYBENZOIC ACID |
| Molecular Structure: | |
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| Formula: | C8H9NO3 |
| Molecular Weight: | 167.164 |
| Synonyms: | 5-Amino-2-methoxybenzoic acid;5-Amino-o-anisic acid;3-Carboxy-4-methoxyaniline;o-Anisicacid, 5-amino- (7CI,8CI); |
| Density: | 1.303 g/cm3 |
| Melting Point: | 165 °C |
| Boiling Point: | 369.903 °C at 760 mmHg |
| Flash Point: | 177.511 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| PSA: | 72.55000 |
| LogP: | 1.55680 |
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Specification
The Benzoic acid,5-amino-2-methoxy-, with the CAS registry number 3403-47-2, is also known as 5-Amino-o-anisic acid. This chemical's molecular formula is C8H9NO3 and molecular weight is 167.16. What's more, its systematic name is 5-Amino-2-methoxybenzoic acid and it belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Aromatic Amino AcidsCarbonyl Compounds; C8; Carboxylic Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. Besides, the product is harmful if swallowed.
Physical properties of Benzoic acid,5-amino-2-methoxy- are: (1)ACD/LogP: 0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 72.55 Å2; (11)Index of Refraction: 1.604; (12)Molar Refractivity: 44.098 cm3; (13)Molar Volume: 128.245 cm3; (14)Polarizability: 17.482×10-24 cm3; (15)Surface Tension: 56.694 dyne/cm; (16)Density: 1.303 g/cm3; (17)Flash Point: 177.511 °C; (18)Enthalpy of Vaporization: 65.066 kJ/mol; (19)Boiling Point: 369.903 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(N)cc1C(O)=O
(2)InChI: InChI=1/C8H9NO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,9H2,1H3,(H,10,11)
(3)InChIKey: LWWPSEIFAKNPKQ-UHFFFAOYSA-N