-
Name
1H-Indol-1-amine
- EINECS
- CAS No. 53406-38-5
- Article Data23
- CAS DataBase
- Density 1.183 g/cm3
- Solubility
- Melting Point 40 °C
- Formula C8H8N2
- Boiling Point 296.208 °C at 760 mmHg
- Molecular Weight 132.165
- Flash Point 132.942 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-Aminoindole;
- PSA 30.95000
- LogP 1.93630
1H-Indol-1-amine Specification
This chemical has the IUPAC name 1H-Indol-1-amine. With the CAS registry number 53406-38-5, is also known as 1-Aminoindole. Its molecular formula is C8H8N2 and its molecular weight is 132.16.
Other characteristics of the 1H-Indol-1-amine can be summarised as followings: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.54; (4)ACD/LogD (pH 7.4): 1.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 14.83; (7)ACD/KOC (pH 5.5): 9.57; (8)ACD/KOC (pH 7.4): 216.19; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 8.17 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 40.18 cm3; (15)Molar Volume: 111.6 cm3; (16)Polarizability: 15.92×10-24cm3; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 132.9 °C; (20)Enthalpy of Vaporization: 53.6 kJ/mol; (21)Boiling Point: 296.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00146 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cccc2c1ccn2N
2.InChI: InChI=1/C8H8N2/c9-10-6-5-7-3-1-2-4-8(7)10/h1-6H,9H2
3.InChIKey: VUSYGSNEEYEGGX-UHFFFAOYAY
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