N-(8-Aza-bicyclo[3.2.1]oct-3-yl)-acetamide

HCID 652782

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Basic information

CAS: 788116-25-6
Standard SMILES: CC(=O)NC1CC2CCC(C1)N2
InChIKey: PXIUMAAABZPJDZ-UHFFFAOYSA-N
Molecular formula: C9H16N2O
Average molar mass: 168.24 g/mol
Monoisotopic mass: 168.12626313

Names & identifiers

Preferred name: N-(8-Aza-bicyclo[3.2.1]oct-3-yl)-acetamide
IUPAC: N-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
English name: N-(3-endo)-8-Azabicyclo[3.2.1]oct-3-ylacetamide
Molecular formula: C9H16N2O
Molecular weight: 168.24

Names & synonyms

N-(8-Aza-bicyclo[3.2.1]oct-3-yl)-acetamide788116-25-6N-(8-azabicyclo[3.2.1]octan-3-yl)acetamideMLS000035315SCHEMBL744672CHEMBL1581369DTXSID70349554PXIUMAAABZPJDZ-UHFFFAOYSA-NHMS1691P13HMS2410B15SMR000006764n-[8-azabicyclo[3.2.1]oct-3-yl]acetamide

Show more names

N-(3-endo)-8-Azabicyclo[3.2.1]oct-3-ylacetamideAcetamide, N-(3-endo)-8-azabicyclo[3.2.1]oct-3-yl-

Z394629668

Database identifiers

CAS: 788116-25-6
PubChem CID: 652782
DTXSID: DTXSID70349554
ChEMBL: CHEMBL1581369

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 181

Physicochemical properties

Boiling point: 353.4 · 353.4±31.0 °C(Predicted)
Density: 1.08 · 1.08±0.1 g/cm3(Predicted)
pka: 15.93 · 15.93±0.20(Predicted)

Chemistry & industry

Suppliers1 total

斯派螺（武汉）药物研发有限公司[email protected]

Related reactions

1 records

New reaction record

HRID 29927As reactantuspto-grants-2008_09

Compound notes

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