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CAS No.: | 3552-63-4 |
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Name: | 2-(PIPERIDIN-1-YLMETHYL)QUINAZOLIN-4(3H)-ONE HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C14H17N3O•HCl |
Molecular Weight: | 243.308 |
Synonyms: | 4(1H)-Quinazolinone,2-(1-piperidinylmethyl)- (9CI);4(3H)-Quinazolinone, 2-(piperidinomethyl)-(7CI,8CI); |
Density: | 1.28g/cm3 |
Boiling Point: | 398.4 °C at 760 mmHg |
Flash Point: | 194.7°C |
PSA: | 49.25000 |
LogP: | 3.06120 |
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The 2-(Piperidin-1-ylmethyl)quinazolin-4(3H)-one hydrochloride, with the CAS registry number 3552-63-4, has molecular formula C14H17N3O•HCl. Moreover, this chemical's molecular weight is 279.765.
Physical properties about this chemical are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 32.67 Å2; (7)Flash Point: 194.7 °C; (8)Enthalpy of Vaporization: 64.9 kJ/mol; (9)Boiling Point: 398.4 °C at 760 mmHg; (10)Vapour Pressure: 1.48E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2/N=C(\Nc1c2cccc1)C[NH+]3CCCCC3
(2)InChI: InChI=1/C14H17N3O/c18-14-11-6-2-3-7-12(11)15-13(16-14)10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2,(H,15,16,18)/p+1
(3)InChIKey: VKGCRVIULOTJLV-IKLDFBCSAD
(4)Std. InChI:InChI=1S/C14H17N3O/c18-14-11-6-2-3-7-12(11)15-13(16-14)10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2,(H,15,16,18)/p+1
(5)Std. InChIKey: VKGCRVIULOTJLV-UHFFFAOYSA-O