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

Name
Spiro[isobenzofuran-1(3H),4'-piperidin]-3-one
EINECS
CAS No. 37663-46-0
Article Data6
CAS DataBase
Density 1.253 g/cm³
Solubility
Melting Point 132-133 °C
Formula C₁₂H₁₃NO₂
Boiling Point 406.849 °C at 760 mmHg
Molecular Weight 203.241
Flash Point 199.855 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Oxospiro[isobenzofuran-1(3H),4'-piperidine];3H-Spiro[2-benzofuran-1,4'-piperidine]-3-one;Spiro[phthalan-1,4'-piperidin]-3-one;
PSA 38.33000
LogP 1.76450

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

The Spiro[isobenzofuran-1(3H),4'-piperidin]-3-one with the cas number 37663-46-0 is also called spiro[2-benzofuran-3,4'-piperidine]-1-one. The systematic name is 3H-spiro[2-benzofuran-1,4'-piperidin]-3-one. Its molecular formula is C₁₂H₁₃NO₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.33 Å²; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 55.96 cm³; (15)Molar Volume: 162.19 cm³; (16)Polarizability: 22.184×10^-24cm³; (17)Surface Tension: 50.944 dyne/cm ; (18)Enthalpy of Vaporization: 65.864 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC3(c2c1cccc2)CCNCC3
(2)InChI: InChI=1/C12H13NO2/c14-11-9-3-1-2-4-10(9)12(15-11)5-7-13-8-6-12/h1-4,13H,5-8H2
(3)InChIKey: RNMPNVBLQHYANU-UHFFFAOYAQ

Product Name

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

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

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