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3-(Piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one

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Name

3-(Piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one

EINECS
CAS No. 79098-75-2 Density 1.18 g/cm3
Solubility Melting Point
Formula C13H17N3O Boiling Point 459.008 °C at 760 mmHg
Molecular Weight 231.29 Flash Point 231.4 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 79098-75-2 (2(1H)-Quinazolinone,3,4-dihydro-3-(4-piperidinyl)-) Hazard Symbols
Synonyms

3-(Piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one;3-Piperidin-4-yl-3,4-dihydro-1H-quinazolin-2-one;

 

3-(Piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one Specification

The 3-(Piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one, its cas register number is 79098-75-2. It also can be called as 2(1H)-Quinazolinone,3,4-dihydro-3-(4-piperidinyl)- and the Systematic name about this chemical is 3-piperidin-4-yl-3,4-dihydroquinazolin-2(1H)-one.

Following are the chemical properties about 3-(Piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one: (1)#H bond acceptors: 4; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 44.37Å2; (5)Index of Refraction: 1.581; (6)Molar Refractivity: 65.311 cm3; (7)Molar Volume: 195.993 cm3; (8)Polarizability: 25.891x10-24cm3; (9)Surface Tension: 45.599 dyne/cm; (10) Enthalpy of Vaporization: 71.942 kJ/mol; (11)Boiling Point: 459.008 °C at 760 mmHg

This chemical can be described computed from structure:
(1)SMILES:O=C2N(Cc1ccccc1N2)C3CCNCC3
(2)InChI: InChI=1/C13H17N3O/c17-13-15-12-4-2-1-3-10(12)9-16(13)11-5-7-14-8-6-11/h1-4,11,14H,5-9H2,(H,15,17)
(3)InChIKey: KSTFHYBYFDYWSD-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C13H17N3O/c17-13-15-12-4-2-1-3-10(12)9-16(13)11-5-7-14-8-6-11/h1-4,11,14H,5-9H2,(H,15,17)
(5)Std. InChIKey: KSTFHYBYFDYWSD-UHFFFAOYSA-N

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