3-(1-Aminoethyl)benzonitrile supplier

Name
3-(1-Aminoethyl)benzonitrile
EINECS
CAS No. 153994-67-3
Article Data3
CAS DataBase
Density 1.066 g/cm³
Solubility
Melting Point
Formula C₉H₁₀N₂
Boiling Point 251.357 °C at 760 mmHg
Molecular Weight 146.192
Flash Point 105.817 °C
Transport Information
Appearance
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 49.81000
LogP 3.08028

3-(1-Aminoethyl)benzonitrile 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

Product Name

3-(1-Aminoethyl)benzonitrile

3-(1-Aminoethyl)benzonitrile Specification

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