3-Aminomethylbenzoic acid supplier

Name
3-Aminomethylbenzoic acid
EINECS 696-411-3
CAS No. 2393-20-6
Article Data10
CAS DataBase
Density 1.239 g/cm³
Solubility
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
Appearance
Safety 26-39
Risk Codes 41
Molecular Structure
Hazard Symbols
Synonyms m-Toluicacid, a-amino- (6CI,7CI,8CI);3-(Aminomethyl)benzoic acid;a-Amino-m-toluic acid;
PSA 63.32000
LogP 1.54380

3-Aminomethylbenzoic acid Specification

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

Product Name

3-Aminomethylbenzoic acid

3-Aminomethylbenzoic acid Specification

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