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d-1-Acetyl lysergic acid monoethylamide

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Name

d-1-Acetyl lysergic acid monoethylamide

EINECS N/A
CAS No. 50485-03-5 Density 1.3g/cm3
PSA 57.83000 LogP 3.08540
Solubility N/A Melting Point N/A
Formula C20H23N3O2 Boiling Point 583.7°Cat760mmHg
Molecular Weight 337.46 Flash Point 306.8°C
Transport Information N/A Appearance N/A
Safety Poison by ingestion and intravenous routes. Ingesting very small amounts produce psychotropic effects in humans. When heated to decomposition it emits toxic fumes of NOx. See also various lysergic acid entries. Risk Codes N/A
Molecular Structure Molecular Structure of 50485-03-5 (d-1-ACETYL LYSERGIC ACID MONOETHYLAMIDE			) Hazard Symbols N/A
Synonyms

1-Acetyllysergic acid ethylamide;ALA-10;d-1-Acetyl lysergic acid monoethylamide;

 

d-1-Acetyl lysergic acid monoethylamide Chemical Properties

Molecule structure of d-1-Acetyl lysergic acid monoethylamide  (CAS NO.50485-03-5):

Molecular Weight: 337.41552 g/mol
Molecular Formula: C20H23N3O2 
Density: 1.3 g/cm
Boiling Point: 583.7 °C at 760 mmHg 
Flash Point: 306.8 °C
Index of Refraction: 1.67
Molar Refractivity: 96.63 cm3
Molar Volume: 258.6 cm3
Polarizability: 38.3×10-24 cm3
Surface Tension: 48.9 dyne/cm 
Enthalpy of Vaporization: 87.24 kJ/mol
Vapour Pressure: 1.3E-13 mmHg at 25 °C
XLogP3: 2.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 337.179027
MonoIsotopic Mass: 337.179027
Topological Polar Surface Area: 54.3
Heavy Atom Count: 25
Complexity: 602
Defined Atom StereoCenter Count: 2 
Canonical SMILES: CCNC(=O)C1CN(C2CC3=CN(C4=CC=CC(=C34)C2=C1)C(=O)C)C
Isomeric SMILES: CCNC(=O)[C@H]1CN([C@@H]2CC3=CN(C4=CC=CC(=C34)C2=C1)C(=O)C)C
InChI: InChI=1S/C20H23N3O2/c1-4-21-20(25)14-8-16-15-6-5-7-17-19(15)13(11-23(17)12(2)24)9-18(16)22(3)10-14/h5-8,11,14,18H,4,9-10H2,1-3H3,(H,21,25)/t14-,18-/m1/s1
InChIKey: UKRWCEJTOPSTEC-RDTXWAMCSA-N
Classification Code: Human Data

d-1-Acetyl lysergic acid monoethylamide Toxicity Data With Reference

1.    

orl-hmn TDLo:75 µg/kg:PSY

    PSDTAP    Proceedings of the European Society for the Study of Drug Toxicity. 8 (1967),59.
2.    

ivn-rbt LD50:5 mg/kg

    27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,94.

d-1-Acetyl lysergic acid monoethylamide Safety Profile

Poison by ingestion and intravenous routes. Ingesting very small amounts produce psychotropic effects in humans. When heated to decomposition it emits toxic fumes of NOx. See also various lysergic acid entries.

d-1-Acetyl lysergic acid monoethylamide Specification

 d-1-Acetyl lysergic acid monoethylamide (CAS NO.50485-03-5) is also named as 1-Acetyl-9,10-didehydro-N-ethyl-6-methylergoline-8-beta-carboxamide ; 1-Acetyllysergic acid ethylamide ; 4-25-00-00972 (Beilstein Handbook Reference) ; ALA-10 ; BRN 0051958 ; Ergoline-8-beta-carboxamide, 1-acetyl-9,10-didehydro-N-ethyl-6-methyl- . d-1-Acetyl lysergic acid monoethylamide (CAS NO.50485-03-5) is highly toxic. It is flammable. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry.

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