Ergoline-8-carboxylic acid, 6-methyl-, methyl ester, (8β)- supplier

Name
6-METHYL-ERGOLINE-8-CARBOXYLIC ACID METHYL ESTER
EINECS
CAS No. 35470-53-2
Article Data21
CAS DataBase
Density 1.227 g/cm³
Solubility
Melting Point 185 °C
Formula C₁₇H₂₀N₂O₂
Boiling Point 453.797 °C at 760 mmHg
Molecular Weight 284.358
Flash Point 228.249 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ergoline-8b-carboxylic acid, 6-methyl-,methyl ester (8CI);Lysergic acid, 9,10-dihydro-, methyl ester (7CI);Lysergicacid, dihydro-, methyl ester (6CI);9,10-Dihydrolysergic acid methyl ester;D-Dihydrolysergic acid methyl ester;Dihydrolysergic acid methyl ester;Methyl6-methylergoline-8b-carboxylate;Methyl 9,10-dihydro-D-lysergate;Methyl 9,10-dihydrolysergate;Methyl D-6-methylergoline-8b-carboxylate;Methyl dihydrolysergate;
PSA 45.33000
LogP 2.23880

Ergoline-8-carboxylic acid, 6-methyl-, methyl ester, (8β)- Specification

This chemical is called Ergoline-8-carboxylic acid, 6-methyl-, methyl ester, (8β)-, and its systematic name is methyl (8β)-6-methylergoline-8-carboxylate. With the molecular formula of C₁₇H₂₀N₂O₂, its molecular weight is 284.35. The CAS registry number of this chemical is 35470-53-2.

Other characteristics of the Ergoline-8-carboxylic acid, 6-methyl-, methyl ester, (8β)- can be summarised as followings: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 27; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.33 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 81.815 cm³; (15)Molar Volume: 231.602 cm³; (16)Polarizability: 32.434×10^-24cm³; (17)Surface Tension: 49.865 dyne/cm; (18)Density: 1.228 g/cm³; (19)Flash Point: 228.249 °C; (20)Enthalpy of Vaporization: 71.326 kJ/mol; (21)Boiling Point: 453.797 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C17H20N2O2/c1-19-9-11(17(20)21-2)6-13-12-4-3-5-14-16(12)10(8-18-14)7-15(13)19/h3-5,8,11,13,15,18H,6-7,9H2,1-2H3/t11-,13?,15-/m1/s1
2.Smiles: C12[C@H](N(C[C@@H](C2)C(=O)OC)C)Cc2c3c1cccc3[nH]c2

Product Name

6-METHYL-ERGOLINE-8-CARBOXYLIC ACID METHYL ESTER

Ergoline-8-carboxylic acid, 6-methyl-, methyl ester, (8β)- Specification

Related Products

Hot Products