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CAS No.: | 860229-31-8 |
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Name: | 4-Piperidinepropanamine |
Molecular Structure: | |
Formula: | C8H18N2 |
Molecular Weight: | 142.24 |
Synonyms: | Piperidine, 4-(3-aminopropyl)- (6CI); |
Density: | 0.887 g/cm3 |
Boiling Point: | 219.9 °C at 760 mmHg |
Flash Point: | 98.4 °C |
PSA: | 38.05000 |
LogP: | 1.75400 |
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The 3-(4-Piperidinyl)-1-propanamine, with the CAS registry number 860229-31-8, is also known as 4-Piperidinepropanamine. This chemical's molecular formula is C8H18N2 and molecular weight is 142.24. What's more, its systematic name is 3-(4-Piperidinyl)-1-propanamine.
Physical properties of 3-(4-Piperidinyl)-1-propanamine are: (1)ACD/LogP: 0.536; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): ; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 38.05 Å2; (12)Index of Refraction: 1.46; (13)Molar Refractivity: 43.9 cm3; (14)Molar Volume: 160.2 cm3; (15)Polarizability: 17.4×10-24cm3; (16)Surface Tension: 33.6 dyne/cm; (17)Density: 0.887 g/cm3; (18)Flash Point: 98.4 °C; (19)Enthalpy of Vaporization: 45.63 kJ/mol; (20)Boiling Point: 219.9 °C at 760 mmHg; (21)Vapour Pressure: 0.117 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: NCCCC1CCNCC1
(2)Std. InChI: InChI=1S/C8H18N2/c9-5-1-2-8-3-6-10-7-4-8/h8,10H,1-7,9H2
(3)Std. InChIKey: CVMKBMWKWYXTRH-UHFFFAOYSA-N