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496-42-4

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Basic Information
CAS No.: 496-42-4
Name: 2-(2-Aminoethyl)indole
Article Data: 14
Molecular Structure:
Molecular Structure of 496-42-4 (2-(2-Aminoethyl)indole)
Formula: C10H12 N2
Molecular Weight: 160.219
Synonyms: Indole,2-(2-aminoethyl)- (8CI); 2-(2-Aminoethyl)indole; 2-(Indol-2-yl)ethylamine;Indole-2-ethylamine
Density: 1.157g/cm3
Melting Point: 100-101 °C
Boiling Point: 342.5°Cat760mmHg
Flash Point: 187.7°C
Hazard Symbols:
Risk Codes: 36/37/38
Safety:
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36/37/39
PSA: 41.81000
LogP: 2.36940
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Chemistry

Molecule structure of 2-(2-Aminoethyl)indole (CAS NO.496-42-4):

IUPAC Name: 2-(1H-Indol-2-yl)ethanamine 
Molecular Weight: 160.21568 [g/mol]
Molecular Formula: C10H12N2 
Index of Refraction: 1.668
Molar Refractivity: 51.61 cm3
Molar Volume: 138.3 cm3
Surface Tension: 54.7 dyne/cm
Density: 1.157 g/cm3
Flash Point: 187.7 °C
Enthalpy of Vaporization: 58.62 kJ/mol
Boiling Point: 342.5 °C at 760 mmHg
Vapour Pressure: 7.51E-05 mmHg at 25 °C
XLogP3: 1.5
H-Bond Donor: 2
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Exact Mass: 160.100048
MonoIsotopic Mass: 160.100048
Topological Polar Surface Area: 41.8
Heavy Atom Count: 12
Canonical SMILES: C1=CC=C2C(=C1)C=C(N2)CCN
InChI: InChI=1S/C10H12N2/c11-6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7,12H,5-6,11H2
InChIKey of 2-(2-Aminoethyl)indole (CAS NO.496-42-4): WRAUXDQDRDJTKM-UHFFFAOYSA-N

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
HazardClass: IRRITANT 

Specification

 2-(2-Aminoethyl)indole (CAS NO.496-42-4) is also named as 1H-indole-2-ethanamine ; 2-(1H-Indol-2-yl)ethanamine .