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