2-aminobenzamide

• ChemBase ID: 52252
• Molecular Formular: C7H8N2O
• Molecular Mass: 136.15122
• Monoisotopic Mass: 136.06366289
• SMILES: C(=O)(c1c(cccc1)N)N
• Canonical SMILES: NC(=O)c1ccccc1N
• InChI: InChI=1S/C7H8N2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10)
• InChIKey: PXBFMLJZNCDSMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminobenzamide
• IUPAC Traditional name: benzamide, 2-amino-
• Synonyms: 2-Aminobenzamide; 2-AB; 2-Aminobenzamide; Anthranilic acid amide; Anthranilamide; o-AMINOBENZAMIDE; Anthranilamide; 2-Aminobenzamide; 2-氨基苯甲酰胺; 邻氨基苯甲酰胺; 2-氨基苯甲酰胺

Database IDs

• CAS Number: 88-68-6
• EC Number: 201-851-2
• MDL Number: MFCD00007981
• Beilstein Number: 508509
• PubChem SID: 24891390; 162057015
• PubChem CID: 6942

CALCULATED PROPERTIES

• Acid pKa: 14.959619
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.64406
• LogD (pH = 7.4): 0.64494884
• Log P: 0.64496017
• Molar Refractivity: 39.8368 cm^3
• Polarizability: 14.304103 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 108-110°C; 110-114°C; 110-114°C; 111-113 °C(lit.)
• Boiling Point: 300°C; 300°C
• Flash Point: >100°C; 198 °C; 198°C(388°F); 388.4 °F
• Fluorescence: λex 330 nm; λem 420 nm(lit.)

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• RTECS: CU8993000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 22-36/37/38-43; 36/37/38
• Safety Statements: 26-36/37; 26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H317-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥98%; 95+%; 97%; 98+%
• Linear Formula: 2-(H2N)C6H4CONH2

DETAILS

MP Biomedicals - 05215416

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A89804

Application
Fluorescently labels glycans containing a free reducing terminus.1,2
Used for non-selective, efficient fluorescent labeling of glycans. Slightly less sensitive than anthranilic acid (2-AA) for glycan labeling.
Packaging
100 g in poly bottle
5 g in glass bottle
500 g in glass bottle
Protocols & Applications
Methods of glycosylated protein analysis by Mass Spectrometry