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Name |
3-Aminomethylbenzoic acid |
EINECS | 696-411-3 |
CAS No. | 2393-20-6 | Density | 1.239 g/cm3 |
PSA | 63.32000 | LogP | 1.54380 |
Solubility | N/A | Melting Point |
246-248 °C |
Formula | C8H9NO2 | Boiling Point | 332.9 °C at 760 mmHg |
Molecular Weight | 151.165 | Flash Point | 155.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39 | Risk Codes | 41 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
m-Toluicacid, a-amino- (6CI,7CI,8CI);3-(Aminomethyl)benzoic acid;a-Amino-m-toluic acid; |
Article Data | 10 |
The Benzoic acid,3-(aminomethyl)-, with the CAS registry number 2393-20-6, is also known as 3-(Aminomethyl)benzoic acid. It belongs to the product categories of Carboxylicacid; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Pharmacetical; Carboxylic Acids; Phenyls & Phenyl-Het; Carboxylic Acids; Phenyls & Phenyl-Het. This chemical's molecular formula is C8H9NO2 and molecular weight is 151.16. Its IUPAC name is called 3-(azaniumylmethyl)benzoate.
Physical properties of Benzoic acid,3-(aminomethyl)-: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.74; (4)ACD/LogD (pH 7.4): -1.74; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.598; (13)Molar Refractivity: 41.63 cm3; (14)Molar Volume: 121.9 cm3; (15)Surface Tension: 57.1 dyne/cm; (16)Density: 1.239 g/cm3; (17)Flash Point: 155.1 °C; (18)Enthalpy of Vaporization: 60.76 kJ/mol; (19)Boiling Point: 332.9 °C at 760 mmHg; (20)Vapour Pressure: 5.64E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)C[NH3+])C(=O)[O-]
(2)InChI: InChI=1S/C8H9NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5,9H2,(H,10,11)
(3)InChIKey: GSWYUZQBLVUEPH-UHFFFAOYSA-N