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850352-53-3

Basic Information
CAS No.: 850352-53-3
Name: 1-(Naphthalen-2-yl)-2-(pyrrolidin-1-yl)pentan-1-one
Molecular Structure:
Molecular Structure of 850352-53-3 (1-(Naphthalen-2-yl)-2-(pyrrolidin-1-yl)pentan-1-one)
Formula: C19H23NO
Molecular Weight: 281.39
Synonyms: 1-Pentanone, 1-(2-naphthalenyl)-2-(1-pyrrolidinyl)-;
EINECS:
Density: 1.088g/cm3
Melting Point:
Boiling Point: 430.5°C at 760 mmHg
Flash Point: 161.4°C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
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.