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35779-43-2

Basic Information
CAS No.: 35779-43-2
Name: 6-NORLYSERGIC ACID DIETHYLAMIDE
Article Data: 6
Molecular Structure:
Molecular Structure of 35779-43-2 (6-NORLYSERGIC ACID DIETHYLAMIDE)
Formula: C19H23N3O
Molecular Weight: 309.411
Synonyms: Ergoline-8b-carboxamide,9,10-didehydro-N,N-diethyl- (8CI);6-Demethyl-LSD;6-Nor-LSD;6-Norlysergic aciddiethylamide;D-(N6-Demethyl)lysergic acid diethylamide;N-Demethyl-LSD;N6-Demethyllysergic acid diethylamide;Norlysergic acid diethylamide;(8β)-N,N-diethyl-9,10-didehydroergoline-8-carboxamide;
Density: 1.23 g/cm3
Boiling Point: 550 °C at 760 mmHg
Flash Point: 286.4 °C
Solubility: soluble in alcohol
Appearance: orange-tan powder
Hazard Symbols: ToxicT
Risk Codes: 23/24/25
Safety: 36/37/39-45
Transport Information: UN 2811 6
PSA: 48.13000
LogP: 2.89260
Raw Materials
50-37-3
Downstream Products
50-37-3
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Specification

The Ergoline-8-carboxamide,9,10-didehydro-N,N-diethyl-, (8b)-, with the CAS registry number 35779-43-2, has the systematic name of (8β)-N,N-diethyl-9,10-didehydroergoline-8-carboxamide. And the molecular formula of this chemical is C19H23N3O. It is a kind of orange-tan powder, and belongs to the following product categories: AlkaloidsNeurobiology; Ergot Alkaloids Drugs of Abuse; Chemical Structure; Drugs of Abuse; Drugs & Metabolites; ErgotamineForensic and Veterinary Standards; Neat Compounds; Pharmacologicals. In addition, it should be stored at -20°C.

The physical properties of Ergoline-8-carboxamide,9,10-didehydro-N,N-diethyl-, (8b)- are as following: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 28.48 Å2; (7)Index of Refraction: 1.657; (8)Molar Refractivity: 92.36 cm3; (9)Molar Volume: 251 cm3; (10)Polarizability: 36.61×10-24cm3; (11)Surface Tension: 56.9 dyne/cm; (12)Density: 1.23 g/cm3; (13)Flash Point: 286.4 °C; (14)Enthalpy of Vaporization: 82.99 kJ/mol; (15)Boiling Point: 550 °C at 760 mmHg; (16)Vapour Pressure: 3.81E-12 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is toxic by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N(CC)CC)[C@@H]3/C=C2/c4cccc1c4c(cn1)C[C@H]2NC3
(2)InChI: InChI=1/C19H23N3O/c1-3-22(4-2)19(23)13-8-15-14-6-5-7-16-18(14)12(10-20-16)9-17(15)21-11-13/h5-8,10,13,17,20-21H,3-4,9,11H2,1-2H3/t13-,17-/m1/s1
(3)InChIKey: SUXLVXOMPKZBOV-CXAGYDPIBD