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1-azabicyclo[2.2.2]oct-8-yl 2-cyclopentyl-2-hydroxy-hex-3-ynoate

1-azabicyclo[2.2.2]oct-8-yl 2-cyclopentyl-2-hydroxy-hex-3-ynoate structure

CAS No:
101952-37-8
Formula:
C18H27NO3
Chemical Name:
1-azabicyclo[2.2.2]oct-8-yl 2-cyclopentyl-2-hydroxy-hex-3-ynoate
Synonyms:
NSC665743;Cyclopentaneaceticacid, a-1-butyn-1-yl-a-hydroxy-,1-azabicyclo[2.2.2]oct-3-yl ester;3-Quinuclidyl cyclopentyl(1-butynyl)glycolate B;3-Quinuclidyl cyclopentyl(1-butynyl)glycolate A;ACMC-20bn8b;alpha-(1-Butynyl)cyclopentaneglycolic acid 3-quinuclidinyl ester;1-Azabicyclo[2.2.2]oct-3-yl 2-cyclopentyl-2-hydroxy-3-hexynoate;Cyclopentaneglycolic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester;CHEMBL1965883;CTK4A0458

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1-azabicyclo[2.2.2]oct-8-yl 2-cyclopentyl-2-hydroxy-hex-3-ynoate Basic Attributes

Molecular Weight：

305.418

Exact Mass：

305.199

NSC Number：

665743

Characteristics

PSA：

49.8

XLogP3：

Density：

1.16g/cm3

Boiling Point：

449.2ºC at 760mmHg

Flash Point：

225.4ºC

Refractive Index：

1.56

Vapor Pressure：

5.9E-10mmHg at 25°C

Computed Properties

Molecular Weight:305.4
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:305.19909372
Monoisotopic Mass:305.19909372
Topological Polar Surface Area:49.8
Heavy Atom Count:22
Complexity:477
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-azabicyclo[2.2.2]oct-8-yl 2-cyclopentyl-2-hydroxy-hex-3-ynoate

Basic Attributes
Characteristics
Computed Properties
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1-azabicyclo[2.2.2]oct-8-yl 2-cyclopentyl-2-hydroxy-hex-3-ynoate

SDS

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