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83763-11-5

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Basic Information
CAS No.: 83763-11-5
Name: 1-(4-piperidinyl)-1H-benzimidazole
Article Data: 3
Molecular Structure:
Molecular Structure of 83763-11-5 (1-(4-piperidinyl)-1H-benzimidazole)
Formula: C12H15N3
Molecular Weight: 201.271
Synonyms: 1-(Piperidin-4-yl)-1H-benzimidazole;1-Piperidine-4-yl-1H-benzimidazole;
EINECS: 280-695-7
Density: 1.25 g/cm3
Boiling Point: 376.1 °C at 760 mmHg
Flash Point: 181.2 °C
PSA: 29.85000
LogP: 2.28960
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Specification

The 1H-Benzimidazole,1-(4-piperidinyl)-, with the CAS registry number 83763-11-5, is also known as 1-(4-Piperidinyl)-1H-benzimidazole. Its EINECS registry number is 280-695-7. This chemical's molecular formula is C12H15N3 and molecular weight is 201.2676. What's more, both its IUPAC name and systematic name are the same which is called 1-Piperidin-4-ylbenzimidazole.

Physical properties about 1H-Benzimidazole,1-(4-piperidinyl)- are: (1) ACD/LogP: 1.64; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.6; (4) ACD/LogD (pH 7.4): -1.17; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 3; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 21.06 Å2; (13) Index of Refraction: 1.674; (14) Molar Refractivity: 60.26 cm3; (15) Molar Volume: 160.4 cm3; (16) Surface Tension: 50.1 dyne/cm; (17) Density: 1.25 g/cm3; (18) Flash Point: 181.2 °C; (19) Enthalpy of Vaporization: 62.36 kJ/mol; (20) Boiling Point: 376.1 °C at 760 mmHg; (21) Vapour Pressure: 7.45E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n2c1ccccc1n(c2)C3CCNCC3
(2) InChI: InChI=1/C12H15N3/c1-2-4-12-11(3-1)14-9-15(12)10-5-7-13-8-6-10/h1-4,9-10,13H,5-8H2
(3) InChIKey: QYCKVZZMAXDBHQ-UHFFFAOYAM