N,N'-bis(1,2,3,4-tetrahydrophenanthren-9-ylmethyl)ethane-1,2-diamine
Basic information
- CAS
5431-87-8- Standard SMILES
c1ccc2c3c(cc(CNCCNCc4cc5c(c6ccccc46)CCCC5)c2c1)CCCC3- InChIKey
FHKUOAVORKIRNZ-UHFFFAOYSA-N- Molecular formula
- C32H36N2
- Average molar mass
- 448.6 g/mol
- Monoisotopic mass
- 448.28784916
Names & identifiers
- Preferred name
- N,N'-bis(1,2,3,4-tetrahydrophenanthren-9-ylmethyl)ethane-1,2-diamine
- IUPAC
- N,N'-bis(1,2,3,4-tetrahydrophenanthren-9-ylmethyl)ethane-1,2-diamine
Names & synonyms
5431-87-8NSC13649DTXSID30969378NSC-13649DS-011699N,N-BIS(1,2,3,4-TETRAHYDROPHENANTHREN-9-YLMETHYL)ETHANE-1,2-DIAMINEN~1~,N~2~-Bis[(1,2,3,4-tetrahydrophenanthren-9-yl)methyl]ethane-1,2-diamine
Database identifiers
- CAS
5431-87-8- PubChem CID
- 224825
- DTXSID
DTXSID30969378
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 579
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Compound notes
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