-
Name
1-Acetyl-6-aminoindoline
- EINECS
- CAS No. 62368-29-0
- Article Data10
- CAS DataBase
- Density 1.231 g/cm3
- Solubility
- Melting Point 182 °C
- Formula C10H12N2O
- Boiling Point 453.2 °C at 760 mmHg
- Molecular Weight 176.218
- Flash Point 227.9 °C
- Transport Information
- Appearance yellow to tan powder
- Safety
- Risk Codes 22
-
Molecular Structure
-
Hazard Symbols
Xn,
Xi
- Synonyms 1H-Indol-6-amine,1-acetyl-2,3-dihydro- (9CI);Indoline, 1-acetyl-6-amino- (6CI,7CI);1-(6-Amino-2,3-dihydro-indol-1-yl)ethanone;1-Acetyl-6-amino-2,3-dihydro-1H-indole;1-Acetyl-6-amino-2,3-dihydroindole;1-Acetyl-6-aminoindoline;1-Acetyl-6-indolinamine;6-Amino-N-acetylindoline;N-Acetyl-6-aminoindoline;NSC 87623;
- PSA 46.33000
- LogP 1.82400
1-Acetyl-6-aminoindoline Specification
The IUPAC name of Ethanone,1-(6-amino-2,3Å-dihydro-1H-indol-1-yl)- is 1-(6-amino-2,3-dihydroindol-1-yl)ethanone. With the CAS registry number 62368-29-0, it is also named as 1-Acetyl-6-amino-2,3-dihydro-1H-indole. The product's categories are Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Indoles; Building Blocks. Besides, it is yellow to tan powder, which should be stored at 2-8 °C. In addition, its molecular formula is C10H12N2O and molecular weight is 176.21. Moreover, this chemical is harmful if swallowed.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)H bond acceptors: 3; (4)H bond donors: 2; (5)Freely Rotating Bonds: 1; (6)Polar Surface Area: 23.55 Å2; (7)Index of Refraction: 1.628; (8)Molar Refractivity: 50.82 cm3; (9)Molar Volume: 143.1 cm3; (10)Polarizability: 20.14×10-24cm3; (11)Surface Tension: 56.3 dyne/cm; (12)Density: 1.231 g/cm3; (13)Flash Point: 227.9 °C; (14)Melting Point: 182 °C; (15)Enthalpy of Vaporization: 71.26 kJ/mol; (16)Boiling Point: 453.2 °C at 760 mmHg; (17)Vapour Pressure: 2.11E-08 mmHg at 25 °C.
Uses of Ethanone,1-(6-amino-2,3-dihydro-1H-indol-1-yl)-: it can react with 2-Bromo-1,1-diethoxy-ethane to get N-(1-Acetyl-6-indolinyl)-2,2-diethoxyethylamine.
This reaction needs K2CO3 and Dimethylformamide at temperature of 100 °C for 18 hours. The yield is 39 %.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(N2c1cc(ccc1CC2)N)C
(2)InChI:InChI=1/C10H12N2O/c1-7(13)12-5-4-8-2-3-9(11)6-10(8)12/h2-3,6H,4-5,11H2,1H3
(3)InChIKey:LOZKZWIQDVEDCQ-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C10H12N2O/c1-7(13)12-5-4-8-2-3-9(11)6-10(8)12/h2-3,6H,4-5,11H2,1H3
(5)Std. InChIKey:LOZKZWIQDVEDCQ-UHFFFAOYSA-N
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