N-(4-amino-2,5-diethoxyphenyl)benzamide

• ChemBase ID: 103253
• Molecular Formular: C17H20N2O3
• Molecular Mass: 300.3523
• Monoisotopic Mass: 300.14739251
• SMILES: CCOc1c(N)cc(OCC)c(NC(=O)c2ccccc2)c1
• Canonical SMILES: CCOc1cc(N)c(cc1NC(=O)c1ccccc1)OCC
• InChI: InChI=1S/C17H20N2O3/c1-3-21-15-11-14(16(22-4-2)10-13(15)18)19-17(20)12-8-6-5-7-9-12/h5-11H,3-4,18H2,1-2H3,(H,19,20)
• InChIKey: CNXZLZNEIYFZGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-amino-2,5-diethoxyphenyl)benzamide
• IUPAC Traditional name: N-(4-amino-2,5-diethoxyphenyl)benzamide
• Synonyms: Fast Blue BB Base solution; 4-BENZOYLAMINO-2,5-DIETHOXYANILINE; 4'-Amino-2',5'-diethoxybenzanilide; N-(4-Amino-2,5-diethoxyphenyl)benzamide; Azoic Diazo No. 20; FAST BLUE BB BASE; 4′-Amino-2′,5′-diethoxybenzanilide; Fast blue BB; N-(4-Amino-2,5-diethoxyphenyl)benzamide

Database IDs

• CAS Number: 120-00-3
• EC Number: 204-363-8
• MDL Number: MFCD00009091
• Beilstein Number: 3416889
• PubChem SID: 24894715; 24889314; 162090567
• PubChem CID: 67108
• Color Index Number: 37175

CALCULATED PROPERTIES

• Acid pKa: 11.40626
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.629286
• LogD (pH = 7.4): 2.6343715
• Log P: 2.634478
• Molar Refractivity: 88.7155 cm^3
• Polarizability: 32.794186 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 98-100°C

Safety Information

• Storage Condition: 2-8°C
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• UN Number: 1789
• German water hazard class: 1; 2
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 22; 37/38-41
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H302-H319; H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1789 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: Dye Content >90%
• Compostion: Dye content, ~95%
• Clinical: for in vitro diagnostic use
• Shelf Life: (Expiry date on the label.)
• Quality Level: IVD

DETAILS

MP Biomedicals - 02151111

C.I. 37175
Dye content: >0%

MP Biomedicals - 05211606

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 917

Components
Fast Blue BB base, 15 mg/ml in 0.4M hydrochloric acid with stabilizers