Products Categories
| CAS No.: | 81409-74-7 |
|---|---|
| Name: | 6-(2-PROPENYL)-ERGOLINE-8-CARBOXYLIC ACID |
| Article Data: | 3 |
| Molecular Structure: | |
|
|
|
| Formula: | C18H20N2O2 |
| Molecular Weight: | 296.369 |
| Synonyms: | (8b)-6-Allylergoline-8-carboxylic acid; |
| Density: | 1.258 g/cm3 |
| Boiling Point: | 530.4 °C at 760 mmHg |
| Flash Point: | 274.6 °C |
| PSA: | 56.33000 |
| LogP: | 2.70660 |
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
What can I do for you?
Get Best Price
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