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Basic Information
CAS No.: 252944-01-7
Name: N6-(2-Aminoethyl)-3-nitro-2,6-pyridinediamine
Molecular Structure:
Molecular Structure of 252944-01-7 (N6-(2-Aminoethyl)-3-nitro-2,6-pyridinediamine)
Formula: C7H11N5O2
Molecular Weight: 197.19
Synonyms: 2,6-Pyridinediamine, N6-(2-aminoethyl)-3-nitro-;
Density: 1.445 g/cm3
Boiling Point: 455.398 °C at 760 mmHg
Flash Point: 229.217 °C
PSA: 126.01000
LogP: 1.16920
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Specification

This product is an organic compound with the formula C7H11N5O2. The systematic name of this chemical is N6-(2-Aminoethyl)-3-nitro-2,6-pyridinediamine. With the CAS registry number 252944-01-7, it is also named as 2,6-Pyridinediamine, N6-(2-aminoethyl)-3-nitro-. In addition, the molecular weight is 197.19.

Physical properties of N6-(2-Aminoethyl)-3-nitro-2,6-pyridinediamine are: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 3; (7)#H bond acceptors: 7; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 122.78 Å2; (11)Index of Refraction: 1.703; (12)Molar Refractivity: 52.903 cm3; (13)Molar Volume: 136.419 cm3; (14)Polarizability: 20.973×10-24 cm3; (15)Surface Tension: 81.945 dyne/cm; (16)Density: 1.445 g/cm3; (17)Flash Point: 229.217 °C; (18)Enthalpy of Vaporization: 71.515 kJ/mol; (19)Boiling Point: 455.398 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1ccc(NCCN)nc1N
(2)InChI: InChI=1/C7H11N5O2/c8-3-4-10-6-2-1-5(12(13)14)7(9)11-6/h1-2H,3-4,8H2,(H3,9,10,11)
(3)InChIKey: JNXKEBLSRILDQM-UHFFFAOYSA-N