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5-Aminomethyl-2-cyanopyridine

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Name

5-Aminomethyl-2-cyanopyridine

EINECS N/A
CAS No. 181130-14-3 Density 1.17 g/cm3
PSA 62.70000 LogP 1.11228
Solubility N/A Melting Point N/A
Formula C7H7N3 Boiling Point 325.2 °C at 760 mmHg
Molecular Weight 133.153 Flash Point 150.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 181130-14-3 (2-Pyridinecarbonitrile,5-(aminomethyl)-(9CI)) Hazard Symbols N/A
Synonyms

5-Aminomethyl-2-cyanopyridine;5-Aminomethyl-pyridine-2-carbonitrile;

Article Data 4

5-Aminomethyl-2-cyanopyridine Specification

The 5-Aminomethyl-2-cyanopyridine with the cas number 181130-14-3 is also called 2-Pyridinecarbonitrile,5-(aminomethyl)-(9CI). The systematic name is 5-(aminomethyl)pyridine-2-carbonitrile. Its molecular formula is C7H7N3. The product's category is pyridine.

The properties of the chemical are: (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): 3.71; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 39.92 Å2; (10)Index of Refraction: 1.575; (11)Molar Refractivity: 37.36 cm3; (12)Molar Volume: 112.9 cm3; (13)Polarizability: 14.81×10-24cm3; (14)Surface Tension: 61.7 dyne/cm; (15)Enthalpy of Vaporization: 56.73 kJ/mol; (16)Vapour Pressure: 0.000234 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ncc(cc1)CN
(2)InChI: InChI=1/C7H7N3/c8-3-6-1-2-7(4-9)10-5-6/h1-2,5H,3,8H2
(3)InChIKey: ZIFSWCUCJMIKQC-UHFFFAOYAK

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