1H-Indole-3-ethanamine,5-amino- supplier

Name
5-AMINOTRYPTAMINE
EINECS
CAS No. 1078-00-8
Article Data6
CAS DataBase
Density 1.245 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃N₃
Boiling Point 425.7 °C at 760 mmHg
Molecular Weight 175.23
Flash Point 240.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(2-Aminoethyl)-1H-indol-5-amine;5-Aminotryptamine;
PSA 67.83000
LogP 2.53280

1H-Indole-3-ethanamine,5-amino- Specification

The 1H-Indole-3-ethanamine,5-amino-, with the CAS registry number 1078-00-8, is also known as 5-Aminotryptamine. This chemical's molecular formula is C₁₀H₁₃N₃ and molecular weight is 175.23. What's more, its IUPAC name is 3-(2-aminoethyl)-1H-indol-5-amine.

Physical properties of 1H-Indole-3-ethanamine,5-amino- are: (1)ACD/LogP: -0.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.19; (4)ACD/LogD (pH 7.4): -2.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 11.41 Å²; (13)Index of Refraction: 1.725; (14)Molar Refractivity: 55.84 cm³; (15)Molar Volume: 140.6 cm³; (16)Polarizability: 22.14×10^-24cm³; (17)Surface Tension: 66.8 dyne/cm; (18)Density: 1.245 g/cm³; (19)Flash Point: 240.9 °C; (20)Enthalpy of Vaporization: 68.04 kJ/mol; (21)Boiling Point: 425.7 °C at 760 mmHg; (22)Vapour Pressure: 1.88E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(ccc2c1c(cn2)CCN)N
(2)Std. InChI: InChI=1S/C10H13N3/c11-4-3-7-6-13-10-2-1-8(12)5-9(7)10/h1-2,5-6,13H,3-4,11-12H2
(3)Std. InChIKey: RTGQKAIBLWKUEF-UHFFFAOYSA-N

Product Name

5-AMINOTRYPTAMINE

1H-Indole-3-ethanamine,5-amino- Specification

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