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Name |
SCH 221510 |
EINECS | N/A |
CAS No. | 322473-89-2 | Density | 1.141 g/cm3 |
PSA | 23.47000 | LogP | 5.84530 |
Solubility | N/A | Melting Point |
N/A |
Formula | C28H31NO | Boiling Point | 552.353 °C at 760 mmHg |
Molecular Weight | 397.56 | Flash Point | 79.174 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Endo-8-[bis(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol; |
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