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1016-47-3

Basic Information
CAS No.: 1016-47-3
Name: N-ACETYLTRYPTAMINE
Article Data: 4
Molecular Structure:
Molecular Structure of 1016-47-3 (N-ACETYLTRYPTAMINE)
Formula: C12H14N2O
Molecular Weight: 202.256
Synonyms: Acetamide,N-(2-indol-3-ylethyl)- (7CI,8CI);Acetotryptamide;N-Acetyl-2-(indol-3-yl)ethylamine;N-Acetyltryptamine;N-[2-(1H-Indol-3-yl)ethyl]acetamide;N10-Acetyltryptamine;Nw-Acetyltryptamine;3-(2-N-Acetylaminoethyl)indole;Acetamide, N-(2-(1H-indol-3-yl)ethyl)-;Acetamide, N-(2-indol-3-ylethyl)-;Acetamide, N-[2-(1H-indol-3-yl)ethyl]- (9CI);Acetotryptamide N-Acetyl-2-(indol-3-yl)ethylamine;
Density: 1.164 g/cm3
Melting Point: 74.0 to 78.0 °C
Boiling Point: 484.7 °C at 760 mmHg
Flash Point: 246.9 °C
Solubility: alcohol: soluble
Appearance: powder
Safety: 22-24/25
PSA: 44.89000
LogP: 2.23740
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Specification

The Acetamide,N-[2-(1H-indol-3-yl)ethyl]-, with the CAS registry number 1016-47-3, is also known as 3-(2-N-Acetylaminoethyl)indole. This chemical's molecular formula is C12H14N2O and molecular weight is 202.25. What's more, its systematic name is N-[2-(1H-indol-3-yl)ethyl]acetamide. It should be sealed and stored in cool and dry places and stored at the temperature of 2-8 °C.

Physical properties of Acetamide,N-[2-(1H-indol-3-yl)ethyl]- are: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 3.68; (6)ACD/BCF (pH 7.4): 3.68; (7)ACD/KOC (pH 5.5): 88.43; (8)ACD/KOC (pH 7.4): 88.43; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 25.24 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 60.96 cm3; (15)Molar Volume: 173.6 cm3; (16)Polarizability: 24.16 ×10-24cm3; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.164 g/cm3; (19)Flash Point: 246.9 °C; (20)Enthalpy of Vaporization: 75 kJ/mol; (21)Boiling Point: 484.7 °C at 760 mmHg; (22)Vapour Pressure: 1.51E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-indol-3-yl-ethylamine and acetic acid anhydride at the temperature of 20-25 °C. This reaction will need the reaction time of 15 min. The yield is about 72%.

Acetamide,N-[2-(1H-indol-3-yl)ethyl]- can be prepared by 2-indol-3-yl-ethylamine and acetic acid anhydride
 

Uses of Acetamide,N-[2-(1H-indol-3-yl)ethyl]-: it can be used to produce 1-methyl-4,9-dihydro-3H-b-carboline. It will need reagents POCl3,  P2O5 and solvent acetonitrile with the reaction time of 160 s. This reaction also needs microwave irradiation. The yield is about 86%.

Acetamide,N-[2-(1H-indol-3-yl)ethyl]- can be used to produce 1-methyl-4,9-dihydro-3H-b-carboline

When you are using this chemical, please be cautious about it as the following:
You should not breathe dust. And you should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(NCCc2c1ccccc1nc2)C
(2)InChI: InChI=1/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)
(3)InChIKey: NVUGEQAEQJTCIX-UHFFFAOYAK