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Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one

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Name

Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one

EINECS N/A
CAS No. 84060-09-3 Density 1.28 g/cm3
PSA 50.36000 LogP 2.29420
Solubility N/A Melting Point N/A
Formula C12H14N2O2 Boiling Point 328.8 °C at 760 mmHg
Molecular Weight 218.255 Flash Point 152.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 84060-09-3 (Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one) Hazard Symbols N/A
Synonyms

1,2-Dihydro-2-oxospiro[4H-3,1-benzoxazine-4,4'-piperidine];Spiro[3,1-benzoxazine-4,4'-piperidin]-2(1H)-one;

Article Data 3

Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one Specification

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

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