4-Pyridinamine,3-(2-phenylethyl)- supplier

Name
3-(2-phenylethyl)pyridin-4-amine
EINECS
CAS No. 6635-94-5
Density 1.11 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₄N₂
Boiling Point 366.8 °C at 760 mmHg
Molecular Weight 198.268
Flash Point 203.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyridine,4-amino-3-phenethyl- (6CI,8CI);NSC 52462;
PSA
LogP

4-Pyridinamine,3-(2-phenylethyl)- Specification

The IUPAC name of 4-Pyridinamine,3-(2-phenylethyl)- is 3-phenethylpyridin-4-amine. With the CAS registry number 6635-94-5, it is also named as Pyridine,4-amino-3-phenethyl- (6CI,8CI). In addition, its molecular formula is C₁₃H₁₄N₂ and its molecular weight is 198.26366.

The other characteristics of 4-Pyridinamine,3-(2-phenylethyl)- can be summarized as: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 16.13 Å²; (7)Index of Refraction: 1.619; (8)Molar Refractivity: 62.61 cm³; (9)Molar Volume: 178.4 cm³; (10)Polarizability: 24.82×10^-24cm³; (11)Surface Tension: 50.6 dyne/cm; (12)Density: 1.11 g/cm³; (13)Flash Point: 203.3 °C; (14)Enthalpy of Vaporization: 61.33 kJ/mol; (15)Boiling Point: 366.8 °C at 760 mmHg; (16)Vapour Pressure: 1.42E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: n1ccc(c(c1)CCc2ccccc2)N
(2)InChI: InChI=1/C13H14N2/c14-13-8-9-15-10-12(13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H2,14,15)
(3)InChIKey: KJHJUZMABIVSMQ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C13H14N2/c14-13-8-9-15-10-12(13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H2,14,15)
(5)Std. InChIKey: KJHJUZMABIVSMQ-UHFFFAOYSA-N

Product Name

3-(2-phenylethyl)pyridin-4-amine

4-Pyridinamine,3-(2-phenylethyl)- Specification

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