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

Name
Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one
EINECS
CAS No. 84060-09-3
Article Data3
CAS DataBase
Density 1.28 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₄N₂O₂
Boiling Point 328.8 °C at 760 mmHg
Molecular Weight 218.255
Flash Point 152.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Dihydro-2-oxospiro[4H-3,1-benzoxazine-4,4'-piperidine];Spiro[3,1-benzoxazine-4,4'-piperidin]-2(1H)-one;
PSA 50.36000
LogP 2.29420

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

Product Name

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

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

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