SCH 221510 supplier | CasNO.322473-89-2

Name
3-Endo-8-[bis(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
EINECS
CAS No. 322473-89-2
Density 1.141 g/cm³
Solubility
Melting Point
Formula C₂₈H₃₁NO
Boiling Point 552.353 °C at 760 mmHg
Molecular Weight 397.56
Flash Point 79.174 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Endo-8-[bis(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol;
PSA 23.47000
LogP 5.84530

SCH 221510 Specification

The CAS register number of SCH 221510 is 322473-89-2. The systematic name about this chemical is 8-[bis(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol. The molecular formula about this chemical is C₂₈H₃₁NO and the molecular weight is 397.56024.

Physical properties about SCH 221510 are: (1)ACD/LogP: 5.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 179; (7)ACD/KOC (pH 5.5): 17; (8)ACD/KOC (pH 7.4): 615; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 23.47 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 123.058 cm³; (15)Molar Volume: 348.307 cm³; (16)Polarizability: 48.784x10^-24cm³; (17)Surface Tension: 49.301 dyne/cm; (18)Density: 1.141 g/cm³; (19)Flash Point: 79.174 °C; (20)Enthalpy of Vaporization: 87.645 kJ/mol; (21)Boiling Point: 552.353 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OC4(c1ccccc1)CC5N(C(c2ccccc2C)c3ccccc3C)C(C4)CC5
(2)InChI: InChI=1/C28H31NO/c1-20-10-6-8-14-25(20)27(26-15-9-7-11-21(26)2)29-23-16-17-24(29)19-28(30,18-23)22-12-4-3-5-13-22/h3-15,23-24,27,30H,16-19H2,1-2H3
(3)InChIKey: LOSJNRBXNQTUNT-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C28H31NO/c1-20-10-6-8-14-25(20)27(26-15-9-7-11-21(26)2)29-23-16-17-24(29)19-28(30,18-23)22-12-4-3-5-13-22/h3-15,23-24,27,30H,16-19H2,1-2H3
(5)Std. InChIKey: LOSJNRBXNQTUNT-UHFFFAOYSA-N

Product Name

3-Endo-8-[bis(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol

SCH 221510 Specification

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