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22961-45-1

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Basic Information
CAS No.: 22961-45-1
Name: 4-(PHENYLAMINO)PYRIDINE
Article Data: 34
Molecular Structure:
Molecular Structure of 22961-45-1 (4-(PHENYLAMINO)PYRIDINE)
Formula: C11H10N2
Molecular Weight: 170.214
Synonyms: Pyridine,4-anilino- (6CI,7CI,8CI);4-(Phenylamino)pyridine;4-Anilinopyridine;N-4-Pyridylaniline;N-Phenyl-4-pyridinamine;NSC 153374;
EINECS: 245-352-8
Density: 1.144 g/cm3
Melting Point: 177 °C
Boiling Point: 324 °C at 760 mmHg
Flash Point: 149.8 °C
PSA: 24.92000
LogP: 2.89820
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Specification

The CAS register number of 4-Pyridinamine,N-phenyl- is 22961-45-1. It also can be called as 4-Anilinopyridine and the IUPAC name about this chemical is N-phenylpyridin-4-amine. The molecular formula about this chemical is C11H10N2 and the molecular weight is 170.21. It belongs to the following product categories which include Pyridines, Pyrimidines, Purines and Pteredines and so on.

Physical properties about 4-Pyridinamine,N-phenyl- are: (1)ACD/LogP: 1.48; (2)ACD/LogD (pH 5.5): 1.04; (3)ACD/LogD (pH 7.4): 1.47; (4)ACD/BCF (pH 5.5): 2.85; (5)ACD/BCF (pH 7.4): 7.64; (6)ACD/KOC (pH 5.5): 55.32; (7)ACD/KOC (pH 7.4): 148.28; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 16.13 Å2; (12)Index of Refraction: 1.642; (13)Molar Refractivity: 53.71 cm3; (14)Molar Volume: 148.6 cm3; (15)Polarizability: 21.29x10-24cm3; (16)Surface Tension: 49.6 dyne/cm; (17)Density: 1.144 g/cm3; (18)Flash Point: 149.8 °C; (19)Enthalpy of Vaporization: 56.6 kJ/mol; (20)Boiling Point: 324 °C at 760 mmHg; (21)Vapour Pressure: 0.000252 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2ccc(Nc1ccccc1)cc2
(2)InChI: InChI=1/C11H10N2/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-9H,(H,12,13)
(3)InChIKey: DKQSRQLSDPYGCJ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C11H10N2/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-9H,(H,12,13)
(5)Std. InChIKey: DKQSRQLSDPYGCJ-UHFFFAOYSA-N