2-(Piperidin-1-ylmethyl)quinazolin-4(3H)-one hydrochloride supplier

Name
2-(PIPERIDIN-1-YLMETHYL)QUINAZOLIN-4(3H)-ONE HYDROCHLORIDE
EINECS
CAS No. 3552-63-4
Density 1.28g/cm³
Solubility
Melting Point
Formula C₁₄H₁₇N₃O•HCl
Boiling Point 398.4 °C at 760 mmHg
Molecular Weight 243.308
Flash Point 194.7°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4(1H)-Quinazolinone,2-(1-piperidinylmethyl)- (9CI);4(3H)-Quinazolinone, 2-(piperidinomethyl)-(7CI,8CI);
PSA 49.25000
LogP 3.06120

2-(Piperidin-1-ylmethyl)quinazolin-4(3H)-one hydrochloride Specification

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

Product Name

2-(PIPERIDIN-1-YLMETHYL)QUINAZOLIN-4(3H)-ONE HYDROCHLORIDE

2-(Piperidin-1-ylmethyl)quinazolin-4(3H)-one hydrochloride Specification

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