ethyl 4-(dimethylamino)benzoate

• ChemBase ID: 69351
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: C(=O)(c1ccc(cc1)N(C)C)OCC
• Canonical SMILES: CCOC(=O)c1ccc(cc1)N(C)C
• InChI: InChI=1S/C11H15NO2/c1-4-14-11(13)9-5-7-10(8-6-9)12(2)3/h5-8H,4H2,1-3H3
• InChIKey: FZUGPQWGEGAKET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-(dimethylamino)benzoate
• IUPAC Traditional name: ethyl-p-dimethylaminobenzoate
• Synonyms: ETHYL p-DIMETHYLAMINOBENZOATE; Ethyl 4-(dimethylamino)benzoate; Ethyl 4-dimethylaminobenzoate; 4-Dimethylaminobenzoic acid ethyl ester; Ethyl 4-dimethylaminobenzoate; 4-二甲氨基苯甲酸乙酯; 4-二甲基氨基苯甲酸乙酯

Database IDs

• CAS Number: 10287-53-3
• EC Number: 233-634-3
• MDL Number: MFCD00009115
• Beilstein Number: 2210233
• PubChem SID: 162035077; 24894473
• PubChem CID: 25127

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4404757
• LogD (pH = 7.4): 2.4415607
• Log P: 2.4415746
• Molar Refractivity: 57.2605 cm^3
• Polarizability: 21.40792 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 63-65°C; 63-66 °C(lit.)
• Boiling Point: 190-191°C/14mm
• Density: 1.060

Safety Information

• Storage Warning: IRRITANT
• German water hazard class: 3
• TSCA Listed: false; 是
• GHS Hazard statements: H303-H313
• GHS Precautionary statements: P312
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99%; 95+%; 97%; 98%; 99%
• Linear Formula: (CH3)2NC6H4CO2C2H5

DETAILS

MP Biomedicals - 05201147

MP Biomedicals Rare Chemical collection

Sigma Aldrich - E24905

Packaging
100, 500 g in poly bottle
5 g in glass bottle