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N-(1H-Indol-3-ylacetyl)glycine
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Name

N-(1H-Indol-3-ylacetyl)glycine

 EINECS N/A
CAS No. 13113-08-1 Density 1.38 g/cm3
PSA 82.19000 LogP 1.30210
Solubility N/A Melting Point 86-87 °C
Formula C12H12N2O3 Boiling Point 618.672 °C at 760 mmHg
Molecular Weight 232.239 Flash Point 327.961 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13113-08-1 (Glycine,N-[2-(1H-indol-3-yl)acetyl]-) Hazard Symbols N/A
Synonyms

Glycine,N-(1H-indol-3-ylacetyl)- (9CI);Indole-3-acetylglycine;N-(3-Indolylacetyl)glycine;Glycine, N-(indol-3-ylacetyl)- (6CI,7CI,8CI);

Article Data 7

N-(1H-Indol-3-ylacetyl)glycine Synthetic route

25365-79-1

methyl [(1H-indol-3-ylacetyl)amino]acetate

13113-08-1

2-(2-(1H-indol-3-yl)acetamido)acetic acid

Conditions
ConditionsYield
With sodium hydroxide In methanol at 20℃; for 1.5h;99%
1080025-88-2

1-(1H-benzotriazol-1-yl)-2-(1H-indol-3-yl)ethanone

56-40-6

glycine

13113-08-1

2-(2-(1H-indol-3-yl)acetamido)acetic acid

Conditions
ConditionsYield
Stage #1: 1-(1H-benzotriazol-1-yl)-2-(1H-indol-3-yl)ethanone; glycine With triethylamine In water; acetonitrile at 20℃; for 1h;
Stage #2: With hydrogenchloride In water; acetonitrile		40%
50720-05-3

indolyl acetyl chloride

56-40-6

glycine

13113-08-1

2-(2-(1H-indol-3-yl)acetamido)acetic acid

Conditions
ConditionsYield
With sodium hydroxide; diethyl ether
87-51-4

indole-3-acetic acid

541-41-3

chloroformic acid ethyl ester

121-44-8

triethylamine

13113-08-1

2-(2-(1H-indol-3-yl)acetamido)acetic acid

Conditions
ConditionsYield
With tetrahydrofuran anschliessendes Behandeln mit Glycin in wss. NaOH;
5448-47-5

1H-indol-3-acetohydrazide

13113-08-1

2-(2-(1H-indol-3-yl)acetamido)acetic acid

Conditions
ConditionsYield
With hydrogenchloride; diethyl ether; sodium nitrite Behandeln des Reaktionsprodukts mit Glycin, wss. NaOH und wss. Na2CO3;
1912-33-0

Indole-3-acetic acid methyl ester

13113-08-1

2-(2-(1H-indol-3-yl)acetamido)acetic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: ethanol; N2H4+H2O
2: diethyl ether; aqueous HCl; NaNO2 / Behandeln des Reaktionsprodukts mit Glycin, wss. NaOH und wss. Na2CO3
View Scheme
87-51-4

indole-3-acetic acid

13113-08-1

2-(2-(1H-indol-3-yl)acetamido)acetic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; benzotriazol-1-ol / dichloromethane / 0 - 20 °C
2: sodium hydroxide / methanol / 1.5 h / 20 °C
View Scheme

N-(1H-Indol-3-ylacetyl)glycine Specification

The Glycine,N-[2-(1H-indol-3-yl)acetyl]-, with the CAS registry number 13113-08-1, is also known as N-(1H-Indol-3-ylacetyl)glycine. This chemical's molecular formula is C12H12N2O3 and molecular weight is 232.24. What's more, its IUPAC name is called 2-[[2-(1H-Indol-3-yl)acetyl]amino]acetic acid.

Physical properties about Glycine,N-[2-(1H-indol-3-yl)acetyl]- are: (1)ACD/LogP: 0.101; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.13; (4)ACD/LogD (pH 7.4): -3.50; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 82.19 Å2; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 62.533 cm3; (15)Molar Volume: 168.264 cm3; (16)Polarizability: 24.79×10-24 cm3; (17)Surface Tension: 67.16 dyne/cm; (18)Density: 1.38 g/cm3; (19)Flash Point: 327.961 °C; (20)Enthalpy of Vaporization: 96.425 kJ/mol; (21)Boiling Point: 618.672 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CNC(=O)Cc2c1ccccc1nc2
(2) InChI: InChI=1S/C12H12N2O3/c15-11(14-7-12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6,13H,5,7H2,(H,14,15)(H,16,17)
(3) InChIKey: YDXXLJMIHMIOIF-UHFFFAOYSA-N

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