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3-Pyridinepropanamine,monohydrochloride

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Name

3-Pyridinepropanamine,monohydrochloride

EINECS N/A
CAS No. 84359-17-1 Density N/A
PSA 38.91000 LogP 2.47520
Solubility N/A Melting Point N/A
Formula C8H13ClN2 Boiling Point 317.2°C at 760 mmHg
Molecular Weight 172.66 Flash Point 145.7°C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 84359-17-1 (3-PYRIDINEPROPANAMINE MONOHYDROCHLORIDE) Hazard Symbols N/A
Synonyms

3-Pyridinepropanamine,monohydrochloride (9CI);

 

3-Pyridinepropanamine,monohydrochloride Specification

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

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