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CAS No.: | 84060-09-3 |
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Name: | Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C12H14N2O2 |
Molecular Weight: | 218.255 |
Synonyms: | 1,2-Dihydro-2-oxospiro[4H-3,1-benzoxazine-4,4'-piperidine];Spiro[3,1-benzoxazine-4,4'-piperidin]-2(1H)-one; |
Density: | 1.28 g/cm3 |
Boiling Point: | 328.8 °C at 760 mmHg |
Flash Point: | 152.6 °C |
PSA: | 50.36000 |
LogP: | 2.29420 |
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The Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one, with the CAS registry number 84060-09-3, has the systematic name of spiro[3,1-benzoxazine-4,4'-piperidin]-2(1H)-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C12H14N2O2.
The characteristics of Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one are as followings: (1)ACD/LogP: 1.84; (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): 1.29; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 50.36 Å2; (11)Index of Refraction: 1.619; (12)Molar Refractivity: 59.61 cm3; (13)Molar Volume: 169.8 cm3; (14)Polarizability: 23.63×10-24cm3; (15)Surface Tension: 54.4 dyne/cm; (16)Density: 1.28 g/cm3; (17)Flash Point: 152.6 °C; (18)Enthalpy of Vaporization: 57.12 kJ/mol; (19)Boiling Point: 328.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000185 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C3Nc1ccccc1C2(CCNCC2)O3
(2)InChI: InChI=1/C12H14N2O2/c15-11-14-10-4-2-1-3-9(10)12(16-11)5-7-13-8-6-12/h1-4,13H,5-8H2,(H,14,15)
(3)InChIKey: NHUBGKMFTPUSRP-UHFFFAOYAX