Bicyclo[3.2.1]octan-8-amine

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Basic information

CAS: 740738-40-3
Standard SMILES: NC1C2CCCC1CC2
InChIKey: UPSSJABEWAOMQR-UHFFFAOYSA-N
Molecular formula: C8H15N
Average molar mass: 125.21 g/mol
Monoisotopic mass: 125.12044948

Names & identifiers

Preferred name: Bicyclo[3.2.1]octan-8-amine
IUPAC: bicyclo[3.2.1]octan-8-amine
English name: Bicyclo[3.2.1]octan-8-amine (9CI)
Molecular formula: C8H15N
Molecular weight: 125.21

Names & synonyms

bicyclo[3.2.1]octan-8-amine740738-40-3bicyclo[3.2.1]oct-8-ylamineSCHEMBL20527351SCHEMBL21049142DTXSID00333229Bicyclo[3.2.1]octan-8-amine, (1R,5S)-3-Oxa-bicyclo[3.2.1]oct-8-ylamineBicyclo[3.2.1]octan-8-amine (9CI)

Database identifiers

CAS: 740738-40-3
PubChem CID: 492912
DTXSID: DTXSID00333229

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 99.1

Physicochemical properties

Boiling point: 183.7 · 183.7±8.0 °C(Predicted)
Density: 0.959 · 0.959±0.06 g/cm3(Predicted)
pka: 11.02 · 11.02±0.20(Predicted)

Related reactions

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Compound notes

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