2126-78-5

 The Iso-lysergide, with the CAS registry number 2126-78-5,is also known as Isolysergic acid diethylamide. It belongs to the product categories of Organic matters. Its EINECS number is 235-911-4. This chemical's molecular formula is C20H25N3O and molecular weight is 323.43. What's more,Its systematic name is Iso-lysergide.It is is a kind of ecstasy and has strong tendency to abuse after abuse can cause mental and behavior changes.The Iso-lysergide can let consumer feel from grows to hallucinations, in time, space, sound and other disorders, emotional change ups and downs and inattention. consumer often appear abrupt, dangerous, absurd compulsive behavior.

Physical properties about Iso-lysergide are:
(1)ACD/LogP:  2.712; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  0.77; (4)ACD/LogD (pH 7.4):  2.37; (5)ACD/BCF (pH 5.5):  1.00; (6)ACD/BCF (pH 7.4):  31.07; (7)ACD/KOC (pH 5.5):  8.05; (8)ACD/KOC (pH 7.4):  326.24; (9)#H bond acceptors:  4; (10)#H bond donors:  1; (11)#Freely Rotating Bonds:  3; (12)Index of Refraction:  1.652; (13)Molar Refractivity:  97.224 cm3; (14)Molar Volume:  266.033 cm3; (15)Polarizability:  38.542 10-24cm3 ; (16)Surface Tension:  55.9420013427734 dyne/cm; (17)Density:  1.216 g/cm3 ; (18)Flash Point:  281.156 °C; (19)Enthalpy of Vaporization:  81.912 kJ/mol; (20)Boiling Point:  541.279 °C at 760 mmHg; (21)Vapour Pressure:  0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(N(CC)CC)[C@@H]3/C=C2/c4cccc1c4c(cn1)CC2N(C3)C;
(2)Std. InChI:InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18?/m1/s1;
(3)Std. InChIKey:VAYOSLLFUXYJDT-IKJXHCRLSA-N.