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1,2-diaza-bicyclo[2.2.2]octane

1,2-diaza-bicyclo[2.2.2]octane structure

CAS No:
329-94-2
Formula:
C6H12N2
Chemical Name:
1,2-diaza-bicyclo[2.2.2]octane
Synonyms:
1,2-diaza-bicyclo[2.2.2]octane

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1,2-diaza-bicyclo[2.2.2]octane Basic Attributes

Molecular Weight：

112.17

Exact Mass：

112.100048391 g/mol

DSSTox ID：

DTXSID40186554

Characteristics

PSA：

15.3 Å²

Density：

1.06±0.1 g/cm3

Melting Point：

151-153 °C

Boiling Point：

162.4±23.0 °C(Predicted)

PKA：

11.44±0.20

Drug Information

MeSH Entry Terms：

diazabicyclo(2.2.2)octane

Computed Properties

Molecular Weight:112.17
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:112.100048391
Monoisotopic Mass:112.100048391
Topological Polar Surface Area:15.3
Heavy Atom Count:8
Complexity:84.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,2-diaza-bicyclo[2.2.2]octane

Basic Attributes
Characteristics
Drug Information
Computed Properties

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