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1-azabicyclo[2.2.2]octane-3-carbonitrile

1-azabicyclo[2.2.2]octane-3-carbonitrile structure

CAS No:
51627-76-0
Formula:
C8H12N2
Chemical Name:
1-azabicyclo[2.2.2]octane-3-carbonitrile
Synonyms:
1-azabicyclo[2.2.2]octane-3-carbonitrile;quinuclidine-3-carbonitrile;3-cyanoquinuclidine;3-cyano-1-azabicyclo[2.2.2]octane;3-cyano-quinuclidine;1-azabicyclo[2.2.2]-octane, 3-cyano;1-azabicyclo(2.2.2)-octane, 3-cyano-;SCHEMBL1058409;CTK7C9035;MFCD09966044

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1-azabicyclo[2.2.2]octane-3-carbonitrile Basic Attributes

Molecular Weight：

136.19428

Exact Mass：

136.10000

Characteristics

PSA：

XLogP3：

0.78968

Density：

1.08g/cm3

Boiling Point：

248.8ºC at 760 mmHg

Flash Point：

104.1ºC

Refractive Index：

1.532

Safety Information

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:136.19
XLogP3:0.5
Hydrogen Bond Acceptor Count:2
Exact Mass:136.100048391
Monoisotopic Mass:136.100048391
Topological Polar Surface Area:27
Heavy Atom Count:10
Complexity:171
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: ethoxide; pseudomembranous colitis; molybdenum disulfide; nitrogen trifluoride; hypochlorite formula; 9 me bc

Guide of 1-azabicyclo[2.2.2]octane-3-carbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-azabicyclo[2.2.2]octane-3-carbonitrile

SDS

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