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CAS No.: | 84359-17-1 |
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Name: | 3-PYRIDINEPROPANAMINE MONOHYDROCHLORIDE |
Molecular Structure: | |
Formula: | C8H13ClN2 |
Molecular Weight: | 172.66 |
Synonyms: | 3-Pyridinepropanamine,monohydrochloride (9CI); |
Boiling Point: | 317.2°C at 760 mmHg |
Flash Point: | 145.7°C |
PSA: | 38.91000 |
LogP: | 2.47520 |
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3-Pyridinepropanamine,hydrochloride (1:1) is an organic compound with the formula C8H13ClN2, and its systematic name is the same with the product name. With the CAS registry number 84359-17-1, it is also named as 3-Pyridinepropanamine,monohydrochloride (9CI). In addition, the molecular weight is 172.66.
Physical properties of 3-Pyridinepropanamine,hydrochloride (1:1) are: (1)ACD/LogP: 0.337; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.87; (4)ACD/LogD (pH 7.4): -2.13; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.91 Å2; (13)Flash Point: 123.5 °C; (14)Enthalpy of Vaporization: 48.37 kJ/mol; (15)Boiling Point: 246.6 °C at 760 mmHg; (16)Vapour Pressure: 0.027 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].[NH3+]CCCc1cccnc1
(2)Std. InChI: InChI=1S/C8H12N2.ClH/c9-5-1-3-8-4-2-6-10-7-8;/h2,4,6-7H,1,3,5,9H2;1H
(3)Std. InChIKey: VIZNQULHHZYJNK-UHFFFAOYSA-N