| 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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