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273196-54-6

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Basic Information
CAS No.: 273196-54-6
Name: 1-[(2,3-DIAMINO-4-PYRIDINYL)CARBONYL]-PIPERIDINE
Molecular Structure:
Molecular Structure of 273196-54-6 (1-[(2,3-DIAMINO-4-PYRIDINYL)CARBONYL]-PIPERIDINE)
Formula: C11H16N4O
Molecular Weight: 220.27
Synonyms: Piperidine, 1-[(2,3-diamino-4-pyridinyl)carbonyl]- (9CI);1-[(2,3-Diamino-4-pyridinyl)carbonyl]-piperidine;
Density: 1.278 g/cm3
Boiling Point: 494.5 °C at 760 mmHg
Flash Point: 252.9 °C
PSA: 85.24000
LogP: 1.97240
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Specification

The CAS register number of Methanone, (2,3-diamino-4-pyridinyl)-1-piperidinyl- is 273196-54-6. It also can be called as 1-[(2,3-Diamino-4-pyridinyl)carbonyl]-piperidine and the systematic name about this chemical is 4-(piperidin-1-ylcarbonyl)pyridine-2,3-diamine. The molecular formula about this chemical is C11H16N4O and the molecular weight is 220.27.

Physical properties about Methanone, (2,3-diamino-4-pyridinyl)-1-piperidinyl- are: (1)ACD/LogP: 0.84; (2)ACD/LogD (pH 5.5): 0.69; (3)ACD/LogD (pH 7.4): 0.84; (4)ACD/BCF (pH 5.5): 1.83; (5)ACD/BCF (pH 7.4): 2.54; (6)ACD/KOC (pH 5.5): 48.81; (7)ACD/KOC (pH 7.4): 67.76; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 39.68 Å2; (12)Index of Refraction: 1.649; (13)Molar Refractivity: 62.83 cm3; (14)Molar Volume: 172.3 cm3; (15)Polarizability: 24.9x10-24cm3; (16)Surface Tension: 69.4 dyne/cm; (17)Density: 1.278 g/cm3; (18)Flash Point: 252.9 °C; (19)Enthalpy of Vaporization: 76.19 kJ/mol; (20)Boiling Point: 494.5 °C at 760 mmHg; (21)Vapour Pressure: 6.4E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccnc(N)c1N)N2CCCCC2
(2)InChI: InChI=1/C11H16N4O/c12-9-8(4-5-14-10(9)13)11(16)15-6-2-1-3-7-15/h4-5H,1-3,6-7,12H2,(H2,13,14)
(3)InChIKey: AEFFLSIIWBKLFT-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C11H16N4O/c12-9-8(4-5-14-10(9)13)11(16)15-6-2-1-3-7-15/h4-5H,1-3,6-7,12H2,(H2,13,14)
(5)Std. InChIKey: AEFFLSIIWBKLFT-UHFFFAOYSA-N