6-Benzyl-2-oxa-6-azaspiro[3.3]heptane supplier

Name
6-benzyl-2-oxa-6-azaspiro[3.3]heptane
EINECS
CAS No. 46246-91-7
Article Data2
CAS DataBase
Density 1.151 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅NO
Boiling Point 283.761 °C at 760 mmHg
Molecular Weight 189.257
Flash Point 83.532 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Benzyl-2-oxa-6-azaspiro[3.3]heptan
PSA 12.47000
LogP 1.45670

6-Benzyl-2-oxa-6-azaspiro[3.3]heptane Specification

The 6-Benzyl-2-oxa-6-azaspiro[3.3]heptane, with the CAS registry number 46246-91-7, is also known as 2-Oxa-6-azaspiro[3.3]heptane, 6-(phenylmethyl)-. This chemical's molecular formula is C₁₂H₁₅NO and molecular weight is 189.25. What's more, its systematic name is 6-Benzyl-2-oxa-6-azaspiro[3.3]heptane.

Physical properties of 6-Benzyl-2-oxa-6-azaspiro[3.3]heptane are: (1)ACD/LogP: 4.651; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 3.95; (5)ACD/BCF (pH 5.5): 7.89; (6)ACD/BCF (pH 7.4): 402.60; (7)ACD/KOC (pH 5.5): 31.56; (8)ACD/KOC (pH 7.4): 1611.25; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 56.081 cm³; (15)Molar Volume: 164.403 cm³; (16)Polarizability: 22.232×10^-24cm³; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.151 g/cm³; (19)Flash Point: 83.532 °C; (20)Enthalpy of Vaporization: 52.27 kJ/mol; (21)Boiling Point: 283.761 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)CN2CC3(C2)COC3
(2)Std. InChI: InChI=1S/C12H15NO/c1-2-4-11(5-3-1)6-13-7-12(8-13)9-14-10-12/h1-5H,6-10H2
(3)Std. InChIKey: TZPHFPFBMJKZRM-UHFFFAOYSA-N

Product Name

6-benzyl-2-oxa-6-azaspiro[3.3]heptane

6-Benzyl-2-oxa-6-azaspiro[3.3]heptane Specification

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