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Phenylacetylglycine

Phenylacetylglycine structure

CAS No:
500-98-1
Formula:
C10H11NO3
Chemical Name:
Phenylacetylglycine
Synonyms:
Glycine,N-(2-phenylacetyl)-;Glycine,N-(phenylacetyl)-;Phenaceturic acid;N-(2-Phenylacetyl)glycine;Phenylacetylglycine;Phenacetylglycine;N-Phenacetylglycine;N-(Phenylacetyl)glycine;NSC 408424;NSC 92778;2-(2-Phenylacetamido)acetic acid;(2-Phenylacetyl)glycine;2-[(2-Phenylacetyl)amino]acetic acid
Categories:
Biochemical Engineering > Amino Acids and Proteins

Description

White Solid

Solid

Phenylacetylglycine is a N-acylglycine that is glycine substituted on nitrogen with a phenylacetyl group. It has a role as a mouse metabolite and a human metabolite. It is a monocarboxylic acid amide, a monocarboxylic acid and a N-acylglycine. It is a conjugate acid of a phenylacetylglycine(1-).

Phenylacetylglycine Basic Attributes

Molecular Weight：

193.2

Exact Mass：

193.20

EC Number：

207-916-1

UNII：

O134PDX2SP

NSC Number：

408424|92778

DSSTox ID：

DTXSID40198177

HScode：

2924299090

Characteristics

PSA：

66.4

XLogP3：

0.7

Appearance：

Solid

Density：

1.2±0.1 g/cm3

Melting Point：

145 °C

Boiling Point：

476.5°C at 760 mmHg

Flash Point：

242.0±26.8 °C

Refractive Index：

1.558

Water Solubility：

In water, 7.3 mg/mL at 11 °C

Storage Conditions：

-15°C

Collision Cross Section：

147.23 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

Safety Information

Hazard category：

IRRITANT

safety instructions：

24/25

Precautionary statement(s)：

P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P501

Hazard Statements：

H302

Drug Information

MeSH Entry Terms：

phenaceturic acid

Phenylacetylglycine Use and Manufacturing

Methods of Manufacturing

l-Glycin (100 mg, 1.33 mmol) was dissolved in 2 M sodium hydroxide solution (2 mL), then acetone (2 mL) was added and the mixture was cooled under ice-bath. Phenyl acetyl chloride (161 μL, 1.21 mmol) was added dropwise at the same temperature, followed by warming to room temperature. After 6 h, the solvent was evaporated off, and the residue was adjust to pH = 2-3 using 1 M HCl and extracted with ethyl acetate. The combined organic layer was dried over anhydrous magnesium sulfate, filtered, and concentrated to give 2 (190 mg, 81percent) as a white solid.

Uses

A metabolite of carboxylic acid.

Computed Properties

Molecular Weight:193.20
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:193.07389321
Monoisotopic Mass:193.07389321
Topological Polar Surface Area:66.4
Heavy Atom Count:14
Complexity:209
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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N-(2-Phenylacetyl)glycine

CAS No.: 500-98-1

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Guide of Phenylacetylglycine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Phenylacetylglycine

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