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654679-12-6

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Basic Information
CAS No.: 654679-12-6
Name: 5-(Aminomethyl)-2-(N-Boc)Aminopyridine
Molecular Structure:
Molecular Structure of 654679-12-6 (5-(Aminomethyl)-2-(N-Boc)Aminopyridine)
Formula: C11H17N3O2
Molecular Weight: 223.2716
Synonyms: Carbamic acid, N-[5-(aminomethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester;
Density: 1.165 g/cm3
Boiling Point: 321.371 °C at 760 mmHg
Flash Point: 148.16 °C
PSA: 77.24000
LogP: 2.66060
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Specification

The 5-(Aminomethyl)-2-(N-Boc)Aminopyridine, with the CAS registry number 654679-12-6, is also known as Carbamic acid, N-[5-(aminomethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester. This chemical's molecular formula is C11H17N3O2 and molecular weight is 223.2716. Its systematic name is called tert-Butyl N-[5-(aminomethyl)-2-pyridyl]carbamate. 

Physical properties of 5-(Aminomethyl)-2-(N-Boc)Aminopyridine: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 2.93; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 4; (8)Index of Refraction: 1.568; (9)Molar Refractivity: 62.677 cm3; (10)Molar Volume: 191.659 cm3; (11)Surface Tension: 48.247 dyne/cm; (12)Density: 1.165 g/cm3; (13)Flash Point: 148.16 °C; (14)Enthalpy of Vaporization: 56.312 kJ/mol; (15)Boiling Point: 321.371 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)Nc1ccc(cn1)CN
(2)InChI: InChI=1/C11H17N3O2/c1-11(2,3)16-10(15)14-9-5-4-8(6-12)7-13-9/h4-5,7H,6,12H2,1-3H3,(H,13,14,15)
(3)InChIKey: DFLQTVPEIMTXSZ-UHFFFAOYAM