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3,5-Bis(aminomethyl)pyridine

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Name

3,5-Bis(aminomethyl)pyridine

EINECS N/A
CAS No. 94413-66-8 Density 1.118 g/cm3
PSA 64.93000 LogP 1.39960
Solubility N/A Melting Point N/A
Formula C7H11N3 Boiling Point 301.2 °C at 760 mmHg
Molecular Weight 137.184 Flash Point 161.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 94413-66-8 (3,5-Bis(aminomethyl)pyridine) Hazard Symbols N/A
Synonyms

3,5-Bis(aminomethyl)pyridine;Pyridine-3,5-diyldimethanamine;

 

3,5-Bis(aminomethyl)pyridine Specification

This chemical is called 3,5-Bis(aminomethyl)pyridine, and it can also be named as Pyridine-3,5-diyldimethanamine. With the molecular formula of C7H11N3, its molecular weight is 137.18. In addition, the CAS registry number of this chemical is 94413-66-8. 

Other characteristics of the 3,5-Bis(aminomethyl)pyridine can be summarised as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 64.93 Å2; (10)Index of Refraction: 1.587; (11)Molar Refractivity: 41.24 cm3; (12)Molar Volume: 122.6 cm3; (13)Polarizability: 16.35×10-24cm3; (14)Surface Tension: 54.4 dyne/cm; (15)Density: 1.118 g/cm3; (16)Flash Point: 161.3 °C; (17) Enthalpy of Vaporization: 54.13 kJ/mol; (18)Boiling Point: 301.2 °C at 760 mmHg; (19)Vapour Pressure: 0.00107 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: c1c(cncc1CN)CN
(2)InChI: InChI=1/C7H11N3/c8-2-6-1-7(3-9)5-10-4-6/h1,4-5H,2-3,8-9H2
(3)InChIKey: PUFFNLXWZKPRMK-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H11N3/c8-2-6-1-7(3-9)5-10-4-6/h1,4-5H,2-3,8-9H2
(5)Std. InChIKey: PUFFNLXWZKPRMK-UHFFFAOYSA-N 

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