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6635-94-5

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Basic Information
CAS No.: 6635-94-5
Name: 3-(2-phenylethyl)pyridin-4-amine
Molecular Structure:
Molecular Structure of 6635-94-5 (3-(2-phenylethyl)pyridin-4-amine)
Formula: C13H14N2
Molecular Weight: 198.268
Synonyms: Pyridine,4-amino-3-phenethyl- (6CI,8CI);NSC 52462;
Density: 1.11 g/cm3
Boiling Point: 366.8 °C at 760 mmHg
Flash Point: 203.3 °C
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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