2-[4,7,10-Tris(cyanomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetonitrile
Basic information
- CAS
144003-26-9- Standard SMILES
N#CCN1CCN(CC#N)CCN(CC#N)CCN(CC#N)CC1- InChIKey
GCADYWACTRNALY-UHFFFAOYSA-N- Molecular formula
- C16H24N8
- Average molar mass
- 328.42 g/mol
- Monoisotopic mass
- 328.2123928
Names & identifiers
- Preferred name
- 2-[4,7,10-Tris(cyanomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetonitrile
- IUPAC
- 2-[4,7,10-tris(cyanomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetonitrile
Names & synonyms
144003-26-9NSC6745982-[4,7,10-tris(cyanomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetonitrile2,2',2'',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetonitrile1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetonitrileCHEMBL1997599DTXSID50327658NSC-674598NCI60_026443
Database identifiers
- CAS
144003-26-9- PubChem CID
- 384585
- DTXSID
DTXSID50327658- ChEMBL
CHEMBL1997599- Nikkaji
- J866.948A
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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