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CAS No.: | 127852-22-6 |
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Name: | (S)-3-(1-Aminoethyl)benzonitrile |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H10N2 |
Molecular Weight: | 146.19 |
Synonyms: | Benzonitrile,3-(1-aminoethyl)-, (S)-;(S)-1-(3-Cyanophenyl)ethylamine; |
Density: | 1.06 g/cm3 |
Boiling Point: | 251.4 °C at 760 mmHg |
Flash Point: | 105.8 °C |
Appearance: | White solid |
PSA: | 49.81000 |
LogP: | 2.27828 |
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The (S)-1-(3-Cyanophenyl)ethylamine ,its cas register number is 127852-22-6.It also can be called as (S)-3-(1-Aminoethyl)benzonitrile and the Systematic name about this chemicals is 3-[(1S)-1-aminoethyl]benzonitrile .It belongs to the API intermediates.
Following are the chemical properties about (S)-1-(3-Cyanophenyl)ethylamine :(1)#H bond acceptors: 2 ; (2)#H bond donors: 2 ; (3)#Freely Rotating Bonds: 2 ; (4)Polar Surface Area: 49.81 Å ; (5)Index of Refraction: 1.557 ; (6)Molar Refractivity: 44.17 cm3 ; (7)Molar Volume: 137.1 cm3 ; (8)Surface Tension: 46.9 dyne/cm; (9)Enthalpy of Vaporization: 48.87 kJ/mol ; (10)Vapour Pressure: 0.0206 mmHg at 25°C .
This chemicals can be described computed from structure:
(1)Canonical SMILES: C1CNCCN(C1)C=O
(2)InChI: InChI=1S/C6H12N2O/c9-6-8-4-1-2-7-3-5-8/h6-7H,1-5H2
(3)InChIKey: RNNVQNMOFQXXTH-UHFFFAOYSA-N