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153994-67-3

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Basic Information
CAS No.: 153994-67-3
Name: 3-(1-Aminoethyl)benzonitrile
Article Data: 3
Molecular Structure:
Molecular Structure of 153994-67-3 (3-(1-Aminoethyl)benzonitrile)
Formula: C9H10N2
Molecular Weight: 146.192
Synonyms: 3-(1-Amino-ethyl)-benzonitrile;N-[1-(3,4-dichlorophenyl)vinyl]acetamide;1-(R)-(+)-(3-cyanophenyl)-ethylamine;Acetamide,N-[1-(3,4-dichlorophenyl)ethenyl];N-[1-(3-cyanophenyl)ethyl]amine;
Density: 1.066 g/cm3
Boiling Point: 251.357 °C at 760 mmHg
Flash Point: 105.817 °C
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26
PSA: 49.81000
LogP: 3.08028
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Specification

The 3-(1-Aminoethyl)benzonitrile, with the CAS registry number 153994-67-3, has the molecular formula C9H10N2. In addition, this chemical's molecular weight is 146.1891. Its systematic name is called 3-(1-aminoethyl)benzonitrilato.

Physical properties of 3-(1-Aminoethyl)benzonitrile: (1)ACD/LogP: 1.18; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.557; (10)Molar Refractivity: 44.176 cm3; (11)Molar Volume: 137.167 cm3; (12)Surface Tension: 46.961 dyne/cm; (13)Density: 1.066 g/cm3; (14)Flash Point: 105.817 °C; (15)Enthalpy of Vaporization: 48.866 kJ/mol; (16)Boiling Point: 251.357 °C at 760 mmHg; (17)Vapour Pressure: 0.021 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NC(C)c1cccc(C#N)c1
(2)InChI: InChI=1/C9H10N2/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5,7H,11H2,1H3
(3)InChIKey: UTDRNGQVIRUPOC-UHFFFAOYAE