CAS No.287114-32-3,1-(2-Pyridinyl)hexahydro-1H-1,4-diazepine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	287114-32-3
Name:	1-(2-Pyridinyl)hexahydro-1H-1,4-diazepine
Article Data:	12

Formula:	C₁₀H₁₅N₃
Molecular Weight:	177.249
Synonyms:	1-(2-Pyridinyl)-1,4-diazepane;1-(2-Pyridinyl)homopiperazine;1-(2-Pyridinyl)hexahydro-1H-1,4-diazepine;
Density:	1.05 g/cm³
Boiling Point:	324.473 °C at 760 mmHg
Flash Point:	150.036 °C
PSA:	28.16000
LogP:	1.27510

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Specification

The CAS register number of 1-(2-Pyridinyl)hexahydro-1H-1,4-diazepine is 287114-32-3. It also can be called as 1H-1,4-Diazepine,hexahydro-1-(2-pyridinyl)- and the IUPAC name about this chemical is 1-pyridin-2-yl-1,4-diazepane. The molecular formula about this chemical is C₁₀H₁₅N₃and molecular weight is 177.25. It belongs to the Pharmacetical.

Physical properties about 1-(2-Pyridinyl)hexahydro-1H-1,4-diazepine are: (1)ACD/LogP: 0.86; (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): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 28.16Å²; (10)Index of Refraction: 1.535; (11)Molar Refractivity: 52.509 cm³; (12)Molar Volume: 168.696 cm³; (13)Polarizability: 20.816x10^-24cm³; (14)Surface Tension: 40.133 dyne/cm; (15)Enthalpy of Vaporization: 56.65 kJ/mol; (16)Boiling Point: 324.473 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccnc(c1)N2CCCNCC2
(2)InChI: InChI=1/C10H15N3/c1-2-6-12-10(4-1)13-8-3-5-11-7-9-13/h1-2,4,6,11H,3,5,7-9H2
(3)InChIKey: YIVVBOYHOANILT-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H15N3/c1-2-6-12-10(4-1)13-8-3-5-11-7-9-13/h1-2,4,6,11H,3,5,7-9H2
(5)Std. InChIKey: YIVVBOYHOANILT-UHFFFAOYSA-N