2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione
Basic information
- CAS
443-76-5- Standard SMILES
O=C1C=C(N2CC2)C(=O)C2=C1CCCC2- InChIKey
MWOHJANRPKUELV-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- 2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione
- IUPAC
- 2-(aziridin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione
- English name
- 2-ethyleneimino-5,6,7,8-tetrahydronaphthoquinone
- Molecular formula
- C12H13NO2
- Molecular weight
- 203.24
Names & synonyms
443-76-52-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedioneA-1372-ethyleneimino-5,6,7,8-tetrahydronaphthoquinoneDTXSID501961091,4-Naphthalenedione, 2-(1-aziridinyl)-5,6,7,8-tetrahydro-RefChem:86960DTXCID10118600BRN 01840252-(aziridin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione2-Ethylenimino-5,6,7,8-tetrahydronaphthoquinone-1,42-Ethyleneimino-5,6,7,8-tetrahydronaphthoquinone-1,4
Show more names
2-(1-Aziridinyl)-5,6,7,8-tetrahydro-1,4-naphthoquinone
2-(1-Azridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione2-Aethylenimino-5.6.7.8-tetrahydro-naphthochinon-1 4 [German]4-20-00-00013 (Beilstein Handbook Reference)SCHEMBL32709252-Aethylenimino-5.6.7.8-tetrahydro-naphthochinon-1 4MWOHJANRPKUELV-UHFFFAOYSA-N1,4-NAPHTHOQUINONE, 2-(1-AZIRIDINYL)-5,6,7,8-TETRAHYDRO-
Database identifiers
- CAS
443-76-5- PubChem CID
- 9932
- DTXSID
DTXSID50196109- Nikkaji
- J13.661A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 37.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Boiling point
- 351.3 · 351.3±37.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 0.56 · 0.56±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…