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6-(2-PROPENYL)-ERGOLINE-8-CARBOXYLIC ACID METHYL ESTER

6-(2-PROPENYL)-ERGOLINE-8-CARBOXYLIC ACID METHYL ESTER structure

CAS No:
72821-79-5
Formula:
C19H22N2O2
Chemical Name:
6-(2-PROPENYL)-ERGOLINE-8-CARBOXYLIC ACID METHYL ESTER
Synonyms:
6-(2-propenyl)-9,10-dihydrolysergic acid methyl ester; cabergolinic acid methyl ester; methyl (6aR,9R,10aR)-7-allyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxylate;
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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6-(2-PROPENYL)-ERGOLINE-8-CARBOXYLIC ACID METHYL ESTER Basic Attributes

Molecular Weight：

310.39000

Exact Mass：

310.168127949

HScode：

2933990090

Characteristics

PSA：

45.33000

XLogP3：

2.79500

Density：

1.19g/cm3

Boiling Point：

474.1ºC at 760 mmHg

Flash Point：

240.5ºC

Refractive Index：

1.613

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:310.4
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:310.168127949
Monoisotopic Mass:310.168127949
Topological Polar Surface Area:45.3
Heavy Atom Count:23
Complexity:480
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 72821-79-5

Grade: Industrial Grade

Content: 99%

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Guide of 6-(2-PROPENYL)-ERGOLINE-8-CARBOXYLIC ACID METHYL ESTER

Basic Attributes
Characteristics
Safety Information
Computed Properties
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