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(8β)-9,10-Didehydro-N-(2-hydroxyethyl)-6-methylergoline-8-carboxamide

(8β)-9,10-Didehydro-N-(2-hydroxyethyl)-6-methylergoline-8-carboxamide structure

CAS No:
16369-53-2
Formula:
C18H21N3O2
Chemical Name:
(8β)-9,10-Didehydro-N-(2-hydroxyethyl)-6-methylergoline-8-carboxamide
Synonyms:
Ergoline-8-carboxamide,9,10-didehydro-N-(2-hydroxyethyl)-6-methyl-,(8β)-;Ergoline-8β-carboxamide,9,10-didehydro-N-(2-hydroxyethyl)-6-methyl-;(8β)-9,10-Didehydro-N-(2-hydroxyethyl)-6-methylergoline-8-carboxamide;607367-91-9

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(8β)-9,10-Didehydro-N-(2-hydroxyethyl)-6-methylergoline-8-carboxamide Basic Attributes

Molecular Weight：

311.37800

Exact Mass：

311.38

EC Number：

240-428-7

DSSTox ID：

DTXSID60167648

Characteristics

PSA：

71.85000

XLogP3：

1.92430

Density：

1.34g/cm3

Boiling Point：

647ºC

Flash Point：

341.3ºC

Refractive Index：

1.695

Vapor Pressure：

2.7E-17mmHg at 25°C

Computed Properties

Molecular Weight:311.4
XLogP3:1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:311.16337692
Monoisotopic Mass:311.16337692
Topological Polar Surface Area:68.4
Heavy Atom Count:23
Complexity:507
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (8β)-9,10-Didehydro-N-(2-hydroxyethyl)-6-methylergoline-8-carboxamide

Basic Attributes
Characteristics
Computed Properties

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