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CAS No.: | 30532-36-6 |
---|---|
Name: | 4-Pyridinepropanamine |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C8H12N2 |
Molecular Weight: | 136.197 |
Synonyms: | 3-Pyridin-4-ylpropylamine;4-(3-Aminopropyl)pyridine; |
Density: | 1.004 g/cm3 |
Melting Point: | 164-166 °C |
Boiling Point: | 248.246 °C at 760 mmHg |
Flash Point: | 124.569 °C |
PSA: | 38.91000 |
LogP: | 1.67320 |
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The 4-Pyridinepropanamine, with the CAS registry number 30532-36-6, is also known as (3-Pyridin-4-ylpropyl)amine. This chemical's molecular formula is C8H12N2 and molecular weight is 136.19. What's more, its systematic name is 3-(Pyridin-4-yl)propan-1-amine.
Physical properties of 4-Pyridinepropanamine are: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.91 Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 42.061 cm3; (15)Molar Volume: 135.659 cm3; (16)Polarizability: 16.674×10-24 cm3; (17)Surface Tension: 42.728 dyne/cm; (18)Density: 1.004 g/cm3; (19)Flash Point: 124.569 °C; (20)Enthalpy of Vaporization: 48.543 kJ/mol; (21)Boiling Point: 248.246 °C at 760 mmHg; (22)Vapour Pressure: 0.025 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: NCCCc1ccncc1
(2)InChI: InChI=1/C8H12N2/c9-5-1-2-8-3-6-10-7-4-8/h3-4,6-7H,1-2,5,9H2
(3)InChIKey: JURFPUSNTWSSPJ-UHFFFAOYAX