CAS No.72755-20-5,Odorine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	72755-20-5
Name:	Odorine

Formula:	C₁₈H₂₄N₂O₂
Molecular Weight:	300.401
Synonyms:	(2R)-2-methyl-N-[1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]butanamide;Butanamide, 2-methyl-N-((2R)-1-((2E)-1-oxo-3-phenyl-2-propenyl)-2-pyrrolidinyl)-, (2S)-;Roxburghiline;Butanamide,2-methyl-N-[(2R)-1-[(2E)-1- oxo-3-phenyl-2-propenyl]-2-pyrrolidinyl]-,(2S)-;
Density:	1.11 g/cm³
Boiling Point:	551.3 °C at 760 mmHg
Flash Point:	287.2 °C
PSA:	49.41000
LogP:	3.13940

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Specification

The Odorine is an organic compound with the formula C₁₈H₂₄N₂O₂. The IUPAC name of this chemical is (2R)-2-methyl-N-[1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]butanamide. With the CAS registry number 72755-20-5, it is also named as (2R)-2-methyl-N-[1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]butanamide.

Physical properties about Odorine are: (1)ACD/LogP: 1.89; (2)ACD/LogD (pH 5.5): 1.89; (3)ACD/LogD (pH 7.4): 1.89; (4)ACD/BCF (pH 5.5): 16.01; (5)ACD/BCF (pH 7.4): 16.01; (6)ACD/KOC (pH 5.5): 253.34; (7)ACD/KOC (pH 7.4): 253.34; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 40.62 Å²; (12)Index of Refraction: 1.563; (13)Molar Refractivity: 87.9 cm³; (14)Molar Volume: 270.5 cm³; (15)Polarizability: 34.84×10^-24cm³; (16)Surface Tension: 45.6 dyne/cm; (17)Density: 1.11 g/cm³; (18)Flash Point: 287.2 °C; (19)Enthalpy of Vaporization: 83.16 kJ/mol; (20)Boiling Point: 551.3 °C at 760 mmHg; (21)Vapour Pressure: 3.35E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C=C\c1ccccc1)N2CCCC2NC(=O)[C@H](C)CC
(2)InChI: InChI=1/C18H24N2O2/c1-3-14(2)18(22)19-16-10-7-13-20(16)17(21)12-11-15-8-5-4-6-9-15/h4-6,8-9,11-12,14,16H,3,7,10,13H2,1-2H3,(H,19,22)/b12-11+/t14-,16?/m1/s1
(3)InChIKey: KZAOEMMZRGEBST-FOGXVCLXBK
(4)Std. InChI: InChI=1S/C18H24N2O2/c1-3-14(2)18(22)19-16-10-7-13-20(16)17(21)12-11-15-8-5-4-6-9-15/h4-6,8-9,11-12,14,16H,3,7,10,13H2,1-2H3,(H,19,22)/b12-11+/t14-,16?/m1/s1
(5)Std. InChIKey: KZAOEMMZRGEBST-FOGXVCLXSA-N