1,5,8,12-Benzotetraazacyclotetradecine, 1,2,3,4,5,6,7,8,9,10,11,12-dodecahydro-
Basic information
- CAS
88718-33-6- Standard SMILES
c1ccc2c(c1)NCCCNCCNCCCN2- InChIKey
VOGOAVNFGZVUQT-UHFFFAOYSA-N- Molecular formula
- C14H24N4
- Average molar mass
- 248.37 g/mol
- Monoisotopic mass
- 248.20009678
Names & identifiers
- Preferred name
- 1,5,8,12-Benzotetraazacyclotetradecine, 1,2,3,4,5,6,7,8,9,10,11,12-dodecahydro-
- IUPAC
- 2,6,9,13-tetrazabicyclo[12.4.0]octadeca-1(18),14,16-triene
Names & synonyms
1,5,8,12-Benzotetraazacyclotetradecine, 1,2,3,4,5,6,7,8,9,10,11,12-dodecahydro-88718-33-6DTXSID00237273RefChem:221131DTXCID00159764Benzocyclam1,2,3,4,5,6,7,8,9,10,11,12-dodecahydro-1,5,8,12-benzotetraazacyclotetradecineSCHEMBL31037172
Database identifiers
- CAS
88718-33-6- PubChem CID
- 145185
- DTXSID
DTXSID00237273- Nikkaji
- J1.864.328F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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