Basic information
- CAS
57970-53-3- Standard SMILES
C1CNCCNCCNCCNCCNCCNCCNCCNCCN1- InChIKey
VDBVHXFEFBWRPN-UHFFFAOYSA-N- Molecular formula
- C18H45N9
- Average molar mass
- 387.6 g/mol
- Monoisotopic mass
- 387.37979247
Names & identifiers
- Preferred name
- 1,4,7,10,13,16,19,22,25-Nonaazacycloheptacosane
- IUPAC
- 1,4,7,10,13,16,19,22,25-nonazacycloheptacosane
Names & synonyms
1,4,7,10,13,16,19,22,25-Nonaazacycloheptacosane57970-53-3DTXSID20548595
Database identifiers
- CAS
57970-53-3- PubChem CID
- 13759405
- DTXSID
DTXSID20548595- Nikkaji
- J1.476.817C
Properties
Computed structural properties
- XLogP
- -3.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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