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| CAS No.: | 850352-53-3 |
|---|---|
| Name: | O-2482 |
| Molecular Structure: | |
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| Formula: | C19H23NO |
| Molecular Weight: | 281.398 |
| Synonyms: | 1-Pentanone, 1-(2-naphthalenyl)-2-(1-pyrrolidinyl)-; |
| Density: | 1.088g/cm3 |
| Boiling Point: | 430.5°C at 760 mmHg |
| Flash Point: | 161.4°C |
| PSA: | 20.31000 |
| LogP: | 4.22490 |
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Specification
The 1-(Naphthalen-2-yl)-2-(pyrrolidin-1-yl)pentan-1-one, with the CAS registry number 850352-53-3,is also known as beta-Naphyrone. It belongs to the product categories of Organic matters. This chemical's molecular formula is C19H23NO and molecular weight is 281.39. What's more,Its systematic name is 1-(Naphthalen-2-yl)-2-(pyrrolidin-1-yl)pentan-1-one.
Physical properties about 1-(Naphthalen-2-yl)-2-(pyrrolidin-1-yl)pentan-1-one are:
(1)ACD/LogP: 4.879; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 3.81; (5)ACD/BCF (pH 5.5): 5.84; (6)ACD/BCF (pH 7.4): 253.84; (7)ACD/KOC (pH 5.5): 20.87; (8)ACD/KOC (pH 7.4): 907.20; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.596; (13)Molar Refractivity: 87.952 cm3; (14)Molar Volume: 258.433 cm3; (15)Polarizability: 34.867 10-24cm3 ; (16)Surface Tension: 44.9370002746582 dyne/cm; (17)Density: 1.089 g/cm3; (18)Flash Point: 161.363 °C; (19)Enthalpy of Vaporization: 68.592 kJ/mol; (20)Boiling Point: 430.456 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(c2cc1ccccc1cc2)C(N3CCCC3)CCC;
(2)Std. InChI:InChI=1S/C19H23NO/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17/h3-4,8-11,14,18H,2,5-7,12-13H2,1H3;
(3)Std. InChIKey:DTNUPBSOODGRKW-UHFFFAOYSA-N.