2-Butyllysergamide supplier | CasNO.137765-82-3

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Name
2-butyllysergamide
EINECS
CAS No. 137765-82-3
Article Data3
CAS DataBase
Density 1.23g/cm³
Solubility
Melting Point
Formula C20H25 N3 O
Boiling Point 582.7°Cat760mmHg
Molecular Weight 0
Flash Point 306.2°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-[(R)-sec-Butyl]lysergamide;
PSA 48.13000
LogP 3.28110

2-Butyllysergamide Specification

The 2-Butyllysergamide, with the CAS registry number 137765-82-3. It belongs to the product categories of medicines and drugs. This chemical's molecular formula is C20H25N3O and molecular weight is 323.43. Its systematic name is (8β)-2-Butyl-6-methyl-9,10-didehydroergoline-8-carboxamide.

Physical properties about 2-Butyllysergamide are:
(1)ACD/LogP: 4.602; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 4.35; (5)ACD/BCF (pH 5.5): 30.47; (6)ACD/BCF (pH 7.4): 1034.90; (7)ACD/KOC (pH 5.5): 124.95; (8)ACD/KOC (pH 7.4): 4244.30; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.66; (13)Molar Refractivity: 96.96 cm³; (14)Molar Volume: 262.772 cm³; (15)Surface Tension: 59.2980003356934 dyne/cm; (16)Density: 1.231 g/cm³; (17)Flash Point: 306.21 °C; (18)Enthalpy of Vaporization: 87.111 kJ/mol; (19)Boiling Point: 582.706 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C;

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(N)[C@@H]3/C=C2/c4cccc1c4c(c(n1)CCCC)C[C@H]2N(C3)C;
(2)Std. InChI:InChI=1S/C20H25N3O/c1-3-4-7-16-15-10-18-14(9-12(20(21)24)11-23(18)2)13-6-5-8-17(22-16)19(13)15/h5-6,8-9,12,18,22H,3-4,7,10-11H2,1-2H3,(H2,21,24)/t12-,18-/m1/s1;
(3)Std. InChIKey:WPUBLQOZLSDKAF-KZULUSFZSA-N;

Product Name

2-butyllysergamide

2-Butyllysergamide Specification

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