1,4-Cubanediyldiammonium
Basic information
- CAS
87830-29-3- Standard SMILES
NC12C3C4C1C1C2C3C41N- InChIKey
NWLVZVZRWGQCNN-UHFFFAOYSA-N- Molecular formula
- C8H10N2
- Average molar mass
- 134.18 g/mol
- Monoisotopic mass
- 134.08439833
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1,4-Cubanediyldiammonium
- IUPAC
- cubane-1,4-diamine
- English name
- 1,4-cubanediyldiammonium
- Molecular formula
- C8H10N2
- Molecular weight
- 134.1784
Names & synonyms
1,4-Cubanediyldiammonium87830-29-3DTXSID60236661RefChem:73167DTXCID90159152cubane-1,4-diamine1,4-Cubanediyldiammonium bis(trinitromethanide)1,4-diaminocubaneSCHEMBL7249572Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-diamine1,4-Pentacyclo(4.2.0.0(2,5).0(3,8).0(4,7))octanediammoniumAKOS006339519
Show more names
1,4-cubanediyldiamine
Pentacyclo(4.2.0.0(2,5).0(3,8).0(4,7))octane-1,4-diamine
Database identifiers
- CAS
87830-29-3- PubChem CID
- 137358
- DTXSID
DTXSID60236661- Nikkaji
- J246.786K
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 212
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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