Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

6-(2-Propenyl)dihydrolysergic acid

Related Products

Hot Products

Name

6-(2-Propenyl)dihydrolysergic acid

EINECS N/A
CAS No. 81409-74-7 Density 1.258 g/cm3
PSA 56.33000 LogP 2.70660
Solubility N/A Melting Point N/A
Formula C18H20N2O2 Boiling Point 530.4 °C at 760 mmHg
Molecular Weight 296.369 Flash Point 274.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 81409-74-7 (6-(2-PROPENYL)-ERGOLINE-8-CARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

(8b)-6-Allylergoline-8-carboxylic acid;

Article Data 3

6-(2-Propenyl)dihydrolysergic acid Specification

With the CAS registry number 81409-74-7, 6-(2-Propenyl)dihydrolysergic acid is also named as (8b)-6-Allylergoline-8-carboxylic acid. In addition, its molecular formula is C18H20N2O2 and its molecular weight is 296.36.

The other characteristics of 6-(2-Propenyl)dihydrolysergic acid can be summarized as: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.07; (4)ACD/LogD (pH 7.4): 0.07; (5)H bond acceptors: 4; (6)H bond donors: 2; (7)Freely Rotating Bonds: 3; (8)Polar Surface Area: 56.33 Å2; (9)Index of Refraction: 1.65; (10)Molar Refractivity: 85.94 cm3; (11)Molar Volume: 235.4 cm3; (12)Polarizability: 34.07×10-24cm3; (13)Surface Tension: 55 dyne/cm; (14)Density: 1.258 g/cm3; (15)Flash Point: 274.6 °C; (16)Enthalpy of Vaporization: 84.8 kJ/mol; (17)Boiling Point: 530.4 °C at 760 mmHg; (18)Vapour Pressure: 4.45E-12 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:OC(=O)[C@@H]1C[C@@H]2c3cccc4ncc(C[C@H]2N(C1)CC=C)c34
(2)InChI:InChI=1/C18H20N2O2/c1-2-6-20-10-12(18(21)22)7-14-13-4-3-5-15-17(13)11(9-19-15)8-16(14)20/h2-5,9,12,14,16,19H,1,6-8,10H2,(H,21,22)/t12-,14-,16-/m1/s1
(3)InChIKey:YAICYXFUKKMAKO-XNRPHZJLBK
(4)Std. InChI:InChI=1S/C18H20N2O2/c1-2-6-20-10-12(18(21)22)7-14-13-4-3-5-15-17(13)11(9-19-15)8-16(14)20/h2-5,9,12,14,16,19H,1,6-8,10H2,(H,21,22)/t12-,14-,16-/m1/s1
(5)Std. InChIKey:YAICYXFUKKMAKO-XNRPHZJLSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 81409-74-7