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162045-31-0

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Basic Information
CAS No.: 162045-31-0
Name: 1-(4-Piperidinyl)-1,2-dihydro-4H-3,1-benzoxazin-2-one hydrochloride
Molecular Structure:
Molecular Structure of 162045-31-0 (1-(4-Piperidinyl)-1,2-dihydro-4H-3,1-benzoxazin-2-one hydrochloride)
Formula: C13H16N2O2.HCl
Molecular Weight: 268.74
Synonyms: 1-(4-PIPERIDINYL)-1,2-DIHYDRO-4H-3,1-BENZOXAZIN-2-ONE HYDROCHLORIDE;1-(Piperidin-4-yl)-1H-benzo[d][1,3]oxazin-2(4H)-one hydrochloride
Melting Point: 253-256 °C
Boiling Point: 398.6 °C at 760 mmHg
Flash Point: 194.9 °C
PSA: 41.57000
LogP: 3.09100
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Specification

This chemical is called 1-(4-Piperidinyl)-1,2-dihydro-4H-3,1-benzoxazin-2-one hydrochloride, and its systematic name is 1-(piperidin-4-yl)-1,4-dihydro-2H-3,1-benzoxazin-2-one hydrochloride (1:1). With the molecular formula of C13H16N2O2.HCl, its molecular weight is 268.74. The CAS registry number of this chemical is 162045-31-0.

Other characteristics of the 1-(4-Piperidinyl)-1,2-dihydro-4H-3,1-benzoxazin-2-one hydrochloride can be summarised as followings: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 41.57 Å2; (11)Flash Point: 194.9 °C; (12)Enthalpy of Vaporization: 66.19 kJ/mol; (13)Boiling Point: 398.6 °C at 760 mmHg; (14)Vapour Pressure: 9.58E-07 mmHg at 25°C. 

You can still convert the following datas into molecular structure: 
1.SMILES: Cl.O=C1OCc3ccccc3N1C2CCNCC2
2.InChI: InChI=1/C13H16N2O2.ClH/c16-13-15(11-5-7-14-8-6-11)12-4-2-1-3-10(12)9-17-13;/h1-4,11,14H,5-9H2;1H
3.InChIKey: KLZHMTYGKHMRBO-UHFFFAOYAM