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CAS No.: | 181130-14-3 |
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Name: | 2-Pyridinecarbonitrile,5-(aminomethyl)-(9CI) |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C7H7N3 |
Molecular Weight: | 133.153 |
Synonyms: | 5-Aminomethyl-2-cyanopyridine;5-Aminomethyl-pyridine-2-carbonitrile; |
Density: | 1.17 g/cm3 |
Boiling Point: | 325.2 °C at 760 mmHg |
Flash Point: | 150.5 °C |
PSA: | 62.70000 |
LogP: | 1.11228 |
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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