2-Chloro-5-[[(phenylmethyl)sulfonyl]amino]benzeneacetic acid structure

3D Mol Similar

2-Chloro-5-[[(phenylmethyl)sulfonyl]amino]benzeneacetic acid

Iupac Name：ethyl 4-(dimethylamino)benzoate

CAS No.：10287-53-3

Molecular Weight：193.246

Request For Quotation

1. Names and Identifiers

1.1 Name: 2-Chloro-5-[[(phenylmethyl)sulfonyl]amino]benzeneacetic acid
1.2 Synonyms: 2-(2-Chloro-5-[[benzylsulfonyl]amino]phenyl)acetic acid Benzeneacetic acid, 2-chloro-5-[[(phenylmethyl)sulfonyl]amino]-

1.3 CAS No.: 10287-53-3

1.4 CID: 25127

1.5 Molecular Formula: C₂₁H₁₈N₆O₂ (isomer)

1.6 Inchi: InChI=1S/C11H15NO2/c1-4-14-11(13)9-5-7-10(8-6-9)12(2)3/h5-8H,4H2,1-3H3

1.7 InChkey: FZUGPQWGEGAKET-UHFFFAOYSA-N

1.8 Canonical Smiles: CCOC(=O)C1=CC=C(C=C1)N(C)C

1.9 Isomers Smiles: CCOC(=O)C1=CC=C(C=C1)N(C)C

2. Properties

3.1 Melting point: 62-65℃

3.1 Refractive index: 1.5353 (100 C)

3.1 Vapour pressure: 0mmHg at 25°C

3.1 Precise Quality: 193.11000

3.1 PSA: 29.54000

3.1 logP: 1.92930

3. Safety and Handling

4.1 Risk Statements: R36/37/38

4.1 Safety Statements: S26;S37/39

4.1 RIDADR: NONH for all modes of transport

4.1 WGK Germany: 3

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

View all

5. Computational chemical data

Molecular Weight：193.246g/mol
Molecular Formula：C_₂₁H_₁₈N_₆O_₂
Compound Is Canonicalized：True
XLogP3-AA：
Exact Mass：193.110278721
Monoisotopic Mass：193.110278721
Complexity：184
Rotatable Bond Count：4
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：3
Topological Polar Surface Area：29.5
Heavy Atom Count：14
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1

6. Recommended Suppliers

Global187SuppliersView all >>

Hanhong Medicine Technology (Hubei) Co., Ltd. Diamond member

1YR

Products:5413-05-8 Ethyl 2-phenylacetoacetate; 16648-44-5 BMK powder; 13605-48-6 Pmk glycidate; 79099-07-3 N-BOC-4-piperidone; 49851-31-2 2-bromo-1-phenylpentan-1-one; 288573-56-8
Tel:86-27-86832068
Email:cynthia@hanhong-api.com

Ethyl 4-dimethylaminobenzoate CAS 10287-53-3

Purity:99%Packing: 200kg/bag FOB
Price: USD/gram
Time: 2022/05/20

Inquire

Hebei Zebo Biotechnology Co., LTD Diamond member

1YR

Products:Organic intermediates, Organic solvents,Cosmetic raw materials ...
Tel:00-86-15176962104
Email:Alice@hbzebo.com

High purity Ethyl 4-dimethylaminobenzoate CAS 10287-53-3

Purity:99%Packing: 200kg/bag FOB
Price: 10 USD/kg
Time: 2022/05/20

Inquire

Hebei Yanxi Chemical Co.,Ltd Diamond member

3YRS

Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
Tel:86-311-66561638
Email:xing@yan-xi.com

Ethyl 4-dimethylaminobenzoate

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2022/05/19

Inquire

Hebei Yingong New Material Technology Co.,Ltd. Diamond member

2YRS

Products:xylazine hcl,phenacetin,4-Methylpropiophenone,(2-Bromoethyl)benzene,4-Methoxybenzoyl chloride
Tel:86-311-17798046959
Email:grace@hbyingong.com

Big Discount Purity 99% Ethyl 4-Dimethylaminobenzoate CAS 10287-53-3 with Best Quality

Purity:99%Packing: 200kg/bag FOB
Price: 10 USD/kilogram
Time: 2022/05/18

Inquire

Jinlan Pharm-Drugs Technology Co., Limited Diamond member

9YRS

Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
Tel:86-571-85829052
Email:market@royalpharms.com

Ethyl 4-dimethylaminobenzoate

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2022/05/13

Inquire