CAS No.1188-37-0,N-Acetyl-L-glutamic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1188-37-0
Name:	N-Acetyl-L-glutamic acid
Article Data:	17
Cas Database

Formula:	C₇H₁₁NO₅
Molecular Weight:	189.168
Synonyms:	Acetyl glutamic acid;L-Glutamicacid, N-acetyl-;
EINECS:	214-708-4
Density:	1.354 g/cm³
Melting Point:	194-196 ºC (lit.)
Boiling Point:	495.9 ºC at 760 mmHg
Flash Point:	253.7 ºC
Solubility:	2.7 g/100 mL (20 ºC)
Appearance:	white crystalline powder
Safety:	24/25
PSA:	103.70000
LogP:	-0.16860

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Conditions

Conditions	Yield
In water for 0.0666667h; Irradiation;	98%
at 0 - 20℃;	61%
With water	58%
With acetic acid Heating;

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Acetyl-D,L-glutaminsaeure

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Ketene

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L-glutamic acid

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Conditions

Conditions	Yield
With sodium hydroxide

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N-Acetyl-L-2-aminopentanoic acid

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Conditions

Conditions	Yield
With hydrogen peroxide; trifluoroacetic acid In water-d2 Kinetics; Photolysis;

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L-glutamic acid

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2-acetyloxy-5-nitrobenzoic acid

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Conditions

Conditions	Yield
In water at 25℃; Kinetics; Concentration;

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L-glutamic acid

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2-acetoxy-5-chloro-benzoic acid

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N-acetyl-(S)-glutamic acid

Conditions

Conditions	Yield
In water at 25℃; Kinetics; Concentration;

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L-glutamic acid

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aspirin

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N-acetyl-(S)-glutamic acid

Conditions

Conditions	Yield
In water at 25℃; Kinetics; Concentration;

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acetylcoenzyme A

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N-acetyl-(S)-glutamic acid

Conditions

Conditions	Yield
With amino-acid N-acetyltransferase; sodium hydroxide In aq. buffer at 30℃; pH=8; Enzymatic reaction;

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ethanol

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N-acetyl-(S)-glutamic acid

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Conditions

Conditions	Yield
With carbon tetrabromide for 32h; Heating;	91%

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methanol

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Conditions

Conditions	Yield
With carbon tetrabromide for 20h; Heating;	88%
With thionyl chloride at 0℃; for 4h;	84%

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Specification

1. Introduction of N-Acetyl-L-glutamic acid

N-Acetyl-L-glutamic acid, with the IUPAC name of (2S)-2-Acetamidopentanedioic acid, is one kind of white powder. It belongs to the product categories of Amino Acid Derivatives; Glutamic Acid [Glu, E]; Ac-Amino Acids; Amino Acids; Amino Acids (N-Protected); Biochemistry; Amino Acid Derivatives; Glutamic Acid; Peptide Synthesis. Its EINECS registry number is 214-708-4. When you are dealing with this chemical, you should avoid contacting with skin and eyes. It is used as pharmaceutical intermediate, biochemical reagent and chiral selectors.

2. Properties of N-Acetyl-L-glutamic acid

Physical properties about N-Acetyl-L-glutamic acid are: (1)ACD/LogP: -2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.37; (4)ACD/LogD (pH 7.4): -6.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 72.91 Å²; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 41.19 cm³; (15)Molar Volume: 139.6 cm³; (16)Surface Tension: 57.5 dyne/cm; (17)Density: 1.354 g/cm³; (18)Flash Point: 253.7 °C; (19)Enthalpy of Vaporization: 83.6 kJ/mol; (20)Boiling Point: 495.9 °C at 760 mmHg; (21)Vapour Pressure: 3.48E-11 mmHg at 25 °C.

3. Structure Descriptors of N-Acetyl-L-glutamic acid

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N[C@H](C(=O)O)CCC(=O)O)C
(2) InChI: InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1
(3) InChIKey: RFMMMVDNIPUKGG-YFKPBYRVSA-N

4. Toxicity of N-Acetyl-L-glutamic acid

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	711mg/kg (711mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Toksikologicheskii Vestnik. Vol. (3), Pg. 36, 1995.
mouse	LD50	oral	6838mg/kg (6838mg/kg)	BRAIN AND COVERINGS: "CHANGES IN CIRCULATION (HEMORRHAGE, THROMBOSIS, ETC.)" LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BLOOD: HEMORRHAGE	Toksikologicheskii Vestnik. Vol. (3), Pg. 36, 1995.
rat	LD50	oral	> 7gm/kg (7000mg/kg)	BRAIN AND COVERINGS: "CHANGES IN CIRCULATION (HEMORRHAGE, THROMBOSIS, ETC.)" LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BLOOD: HEMORRHAGE	Toksikologicheskii Vestnik. Vol. (3), Pg. 36, 1995.

5. Safety information of N-Acetyl-L-glutamic acid

Safety Statements: 24/25
WGK Germany: 2
RTECS: LZ9725000
HS Code: 29241900

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