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Cas Database |
| Name |
1-Acetyl-5-aminoindoline |
EINECS | N/A |
| CAS No. | 4993-96-8 | Density | 1.231 g/cm3 |
| PSA | 46.33000 | LogP | 1.82400 |
| Solubility | N/A | Melting Point |
180-182 °C |
| Formula | C10H12N2O | Boiling Point | 469.7 °C at 760 mmHg |
| Molecular Weight | 176.218 | Flash Point | 237.9 °C |
| Transport Information | N/A | Appearance | brown powder |
| Safety | 26-36/37 | Risk Codes | 22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1H-Indol-5-amine,1-acetyl-2,3-dihydro- (9CI);Indoline, 1-acetyl-5-amino- (7CI,8CI);1-(5-Amino-2,3-dihydroindol-1-yl)ethanone;1-Acetyl-2,3-dihydroindol-5-amine;1-Acetyl-5-amino-2,3-dihydro-1H-indole;5-Amino-1-acetylindoline;N-Acetyl-5-aminoindoline;NSC 158317; |
Article Data | 14 |
1-Acetyl-5-aminoindoline Specification
The CAS register number of 1-Acetyl-5-aminoindoline is 4993-96-8. It also can be called as 1-Acetyl-5-amino-2,3-dihydro-1H-indole and the IUPAC name about this chemical is 1-(5-amino-2,3-dihydroindol-1-yl)ethanone. It belongs to the Indole.
Physical properties about 1-Acetyl-5-aminoindoline are: (1)ACD/LogP: 0.48; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 23.55Å2; (6)Index of Refraction: 1.628; (7)Molar Refractivity: 50.82 cm3; (8)Molar Volume: 143.1 cm3; (9)Polarizability: 20.14x10-24cm3; (10)Surface Tension: 56.3 dyne/cm; (11)Enthalpy of Vaporization: 73.21 kJ/mol; (12)Boiling Point: 469.7 °C at 760 mmHg; (13)Vapour Pressure: 5.38E-09 mmHg at 25°C.
Uses of 1-Acetyl-5-aminoindoline: it can be used to produce indolin-5-ylamine. This reaction will need reagent conc. HCl. The yield is about 52%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N2c1ccc(cc1CC2)N)C
(2)InChI: InChI=1/C10H12N2O/c1-7(13)12-5-4-8-6-9(11)2-3-10(8)12/h2-3,6H,4-5,11H2,1H3
(3)InChIKey: WSDUFDGEYKOQRT-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C10H12N2O/c1-7(13)12-5-4-8-6-9(11)2-3-10(8)12/h2-3,6H,4-5,11H2,1H3
(5)Std. InChIKey: WSDUFDGEYKOQRT-UHFFFAOYSA-N
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