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2-amino-N-phenylacetamide structure
2-amino-N-phenylacetamide structure

2-amino-N-phenylacetamide

Iupac Name:sodium;2-[2-(2,6-dichloroanilino)phenyl]acetate
CAS No.: 15307-79-6
Molecular Weight:318.129
Modify Date.: 2022-03-07 09:48
Introduction: White or slightly reddish crystals. View more+
1. Names and Identifiers
1.1 Name
2-amino-N-phenylacetamide
1.2 Synonyms

2-aminoacetanilide Acetamide, 2-amino-N-phenyl- Acetanilide, 2-amino- Acetanilide,2-amino amino-acetanilide Aminoacetic anilide aminoacetoanilide Benzokoll Glycinanilide Glycine anilide Glycocollanilide N-Glycylaniline N-Phenyl-2-aminoacetamide o-aminoacetanilide α-Aminoacetanilide

1.3 CAS No.
15307-79-6
1.4 CID
5018304
1.5 Molecular Formula
C20H23N5O3S2 (isomer)
1.6 Inchi
InChI=1S/C14H11Cl2NO2.Na/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1
1.7 InChkey
KPHWPUGNDIVLNH-UHFFFAOYSA-M
1.8 Canonical Smiles
C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+]
1.9 Isomers Smiles
C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+]
2. Properties
3.1 Density
1.243
3.1 Melting point
256-257 °C
3.1 Boiling point
199 °C(lit.)
3.1 Precise Quality
316.99900
3.1 PSA
52.16000
3.1 logP
3.10240
3. Use and Manufacturing
4.1 General Description
White or slightly reddish crystals.
4.2 Purification Methods
N-Glycylanilide crystallises from water as needles (dihydrate) and is soluble in Et2O. [Greenstein & Winitz The Chemistry of the Amino Acids J. Wiley, Vol 3 pp1915-1970 1961, Beilstein 4 H 343.] 2-amino-N-phenylacetamide Supplier
4. Safety and Handling
5.1 Symbol
GHS06;
5.1 Signal Word
DANGER
5.1 Risk Statements
R25
5.1 Safety Statements
S22;S36/37;S45
5.1 Packing Group
III
5.1 Fire Hazard
Flash point data for 2-amino-N-phenylacetamide are not available, but 2-amino-N-phenylacetamide is probably combustible.
5.2 Hazard Class
6.1(b)
5.2 Hazard Declaration
H301
5.2 RIDADR
UN 2811
5.2 Caution Statement
P301 + P310
5.2 WGK Germany
3
5.2 RTECS
AG6330000
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Reproductive toxicity, Category 2

Specific target organ toxicity \u2013 repeated exposure, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H361 Suspected of damaging fertility or the unborn child

H372 Causes damage to organs through prolonged or repeated exposure

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Other Information
6.0 General Description
White or slightly reddish crystals.
6.1 Air & Water Reactions
Soluble in hot water .
6.2 Reactivity Profile
Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
6.3 Fire Hazard
Flash point data for 2-amino-N-phenylacetamide are not available, but 2-amino-N-phenylacetamide is probably combustible.
6.4 Purification Methods
N-Glycylanilide crystallises from water as needles (dihydrate) and is soluble in Et2O. [Greenstein & Winitz The Chemistry of the Amino Acids J. Wiley, Vol 3 pp1915-1970 1961, Beilstein 4 H 343.]
7. Computational chemical data
  • Molecular Weight: 318.129g/mol
  • Molecular Formula: C20H23N5O3S2
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 316.9986282
  • Monoisotopic Mass: 316.9986282
  • Complexity: 310
  • Rotatable Bond Count: 4
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Topological Polar Surface Area: 52.2
  • Heavy Atom Count: 20
  • 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: 2
  • CACTVS Substructure Key Fingerprint: AAADccByMCAGAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgIQAAAADAqBmCAwyILAAACIAiTSSACCAAAhBwAIiAEAZogIIHLBl5HEIAhk0AHIyAe8yKCOAAAAAACCABAAAAAAAQQAIAAAAAAAAA==
8. Question & Answer
  • Diclofenac is a phenylacetic acid derivative belonging to the class of the non-selective non-steroidal anti-inflammatory drugs (NSAIDs). It exhibits analgesic, antipyretic and anti-inflammatory activity. Due to its poor solubility, the parenteral formulation of diclofenac sodium (Voltarol ampoules)...
10. Realated Product Infomation