1-Acetyl-7-amino-2,3-dihydro-1H-indole supplier

Name
1-ACETYL-7-AMINO-2,3-DIHYDRO-(1H)-INDOLE
EINECS
CAS No. 51501-31-6
Density 1.231 g/cm³
Solubility
Melting Point 157 °C
Formula C₁₀H₁₂N₂O
Boiling Point 425.6 °C at 760 mmHg
Molecular Weight 176.218
Flash Point 211.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 1H-Indol-7-amine,1-acetyl-2,3-dihydro- (9CI);1-(7-Amino-2,3-dihydroindol-1-yl)ethanone;1-Acetyl-7-amino-2,3-dihydro-1H-indole;7-Amino-N-acetylindoline;
PSA 46.33000
LogP 1.82400

1-Acetyl-7-amino-2,3-dihydro-1H-indole Specification

The 1-Acetyl-7-amino-2,3-dihydro-1H-indole with the CAS number 51501-31-6 is also called Ethanone,1-(7-amino-2,3-dihydro-1H-indol-1-yl)-. The systematic name is 1-acetyl-2,3-dihydro-1H-indol-7-amine. Its molecular formula is C₁₀H₁₂N₂O. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the 1-Acetyl-7-amino-2,3-dihydro-1H-indole are: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.47; (4)ACD/LogD (pH 7.4): 0.48; (5)ACD/BCF (pH 5.5): 1.35; (6)ACD/BCF (pH 7.4): 1.37; (7)ACD/KOC (pH 5.5): 42.81; (8)ACD/KOC (pH 7.4): 43.63; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 50.82 cm³; (15)Molar Volume: 143.1 cm³; (16)Polarizability: 20.14×10^-24cm³; (17)Surface Tension: 56.3 dyne/cm; (18)Enthalpy of Vaporization: 68.02 kJ/mol; (19)Vapour Pressure: 1.89×10^-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N2c1c(cccc1CC2)N)C
(2)InChI: InChI=1/C10H12N2O/c1-7(13)12-6-5-8-3-2-4-9(11)10(8)12/h2-4H,5-6,11H2,1H3
(3)InChIKey: ZFSYJCQFOKJSFE-UHFFFAOYAT

Product Name

1-ACETYL-7-AMINO-2,3-DIHYDRO-(1H)-INDOLE

1-Acetyl-7-amino-2,3-dihydro-1H-indole Specification

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