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503536-77-4

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Basic Information
CAS No.: 503536-77-4
Name: 5-[4-(Dimethylamino)phenyl]-2-pyridinamine
Article Data: 2
Molecular Structure:
Molecular Structure of 503536-77-4 (5-[4-(Dimethylamino)phenyl]-2-pyridinamine)
Formula: C13H15N3
Molecular Weight: 213.28
Synonyms: 2-Pyridinamine, 5-[4-(dimethylamino)phenyl]-;5-[4-(Dimethylamino)phenyl]pyridin-2-amine;
Density: 1.133 g/cm3
Boiling Point: 383.132 °C at 760 mmHg
Flash Point: 185.512 °C
PSA: 42.15000
LogP: 2.97800
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Specification

The systematic name of 5-[4-(Dimethylamino)phenyl]-2-pyridinamine is 5-(4-dimethylaminophenyl)pyridin-2-amine. With the CAS registry number 503536-77-4, it is also named as 2-Pyridinamine, 5-[4-(dimethylamino)phenyl]-. In addition, its molecular formula is C13H15N3 and molecular weight is 213.28.

The other characteristics of 5-[4-(Dimethylamino)phenyl]-2-pyridinamine can be summarized as: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.805; (4)ACD/LogD (pH 7.4): 1.762; (5)ACD/BCF (pH 5.5): 1.381; (6)ACD/BCF (pH 7.4): 12.525; (7)ACD/KOC (pH 5.5): 22.704; (8)ACD/KOC (pH 7.4): 205.874; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.15 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 67.486 cm3; (15)Molar Volume: 188.213 cm3; (16)Polarizability: 26.753×10-24cm3; (17)Surface Tension: 50.865 dyne/cm; (18)Density: 1.133 g/cm3; (19)Flash Point: 185.512 °C; (20)Enthalpy of Vaporization: 63.163 kJ/mol; (21)Boiling Point: 383.132 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: CN(C)c1ccc(cc1)c2ccc(nc2)N
(2)InChI: InChI=1/C13H15N3/c1-16(2)12-6-3-10(4-7-12)11-5-8-13(14)15-9-11/h3-9H,1-2H3,(H2,14,15)
(3)InChIKey: GQQZKJLMUQSQFK-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C13H15N3/c1-16(2)12-6-3-10(4-7-12)11-5-8-13(14)15-9-11/h3-9H,1-2H3,(H2,14,15)
(5)Std. InChIKey: GQQZKJLMUQSQFK-UHFFFAOYSA-N