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Quinuclidine

Quinuclidine structure

CAS No:
100-76-5
Formula:
C7H13N
Chemical Name:
Quinuclidine
Synonyms:
1-Azabicyclo[2.2.2]octane;Quinuclidine;1,4-Ethylenepiperidine;1,4-Ethanopiperidine;ABCO;NSC 168431
Categories:
Specialty Chemicals

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Description

Quinuclidine is a saturated organic heterobicyclic parent and a member of quinuclidines.

Quinuclidine Basic Attributes

Molecular Weight：

111.188

Exact Mass：

111.18

EC Number：

202-887-1

UNII：

XFX99FC5VI

DSSTox ID：

DTXSID2057607

Characteristics

PSA：

3.2

XLogP3：

1.38

Appearance：

white to yellowish crystalline powder

Density：

0.8928 (rough estimate)

Melting Point：

158 °C

Boiling Point：

100-105 °C @ Press: 4 Torr

Flash Point：

36.5±15.3 °C

Refractive Index：

1.4500 (estimate)

Water Solubility：

soluble in alcohol, diethyl ether, water and organic solvents.

Vapor Pressure：

1.5 mm Hg ( 20 °C)

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 2811 6.1/PG 2

wgk germany：

hazard class code：

R24/25;R38;R41

safety instructions：

26-36/37/39-45

RTECS Number：

CL5594625

Marks：

Precautionary statement(s)：

P262, P264, P270, P280, P301+P310, P302+P350, P302+P352, P305+P351+P338, P310, P321, P322, P330, P332+P313, P361, P362, P363, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (97.56%): Toxic if swallowed [Danger Acute toxicity, oral]|P262, P264, P270, P280, P301+P310, P302+P350, P302+P352, P305+P351+P338, P310, P321, P322, P330, P332+P313, P361, P362, P363, P405, and P501|Aggregated GHS information provided by 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

Quinuclidine

Quinuclidine Use and Manufacturing

Manufacturing Info：

1-Azabicyclo[2.2.2]octane: ACTIVE

Computed Properties

Molecular Weight:111.18
XLogP3:1.4
Hydrogen Bond Acceptor Count:1
Exact Mass:111.104799419
Monoisotopic Mass:111.104799419
Topological Polar Surface Area:3.2
Heavy Atom Count:8
Complexity:71.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Quinuclidine

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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Quinuclidine

CAS No.: 100-76-5

Content: 99.00%

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Henan Lihao Chem Plant Limited Contact Supplier

CN
5 YRS

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Chinuclidin CAS100-76-5 C7H13N quinuclidine 1-Azabicyclo[2.2.2]octane 99% a white or almost white crystalline powder kanbei

CAS No.: 100-76-5

Content: 99%

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