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| CAS No.: | 1188-37-0 |
|---|---|
| Name: | N-Acetyl-L-glutamic acid |
| Article Data: | 17 |
| Molecular Structure: | |
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| 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 | Yield |
|---|---|
| In water for 0.0666667h; Irradiation; | 98% |
| at 0 - 20℃; | 61% |
| With water | 58% |
| With acetic acid Heating; |
- 56-86-0
L-glutamic acid
- 623-11-0
1-methyl-4-nitrosobenzene
A
- 5817-08-3
Acetyl-D,L-glutaminsaeure
B
- 1188-37-0
N-acetyl-(S)-glutamic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
- 15891-50-6
N-Acetyl-L-2-aminopentanoic acid
- 1188-37-0
N-acetyl-(S)-glutamic acid
| Conditions | Yield |
|---|---|
| With hydrogen peroxide; trifluoroacetic acid In water-d2 Kinetics; Photolysis; |
| Conditions | Yield |
|---|---|
| In water at 25℃; Kinetics; Concentration; |
| Conditions | Yield |
|---|---|
| In water at 25℃; Kinetics; Concentration; |
| Conditions | Yield |
|---|---|
| In water at 25℃; Kinetics; Concentration; |
| Conditions | Yield |
|---|---|
| With amino-acid N-acetyltransferase; sodium hydroxide In aq. buffer at 30℃; pH=8; Enzymatic reaction; |
| Conditions | Yield |
|---|---|
| With carbon tetrabromide for 32h; Heating; | 91% |
- 67-56-1
methanol
- 1188-37-0
N-acetyl-(S)-glutamic acid
- 2361-99-1
dimethyl (2S)-2-(acetylamino)pentane-1,5-dioate
| 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