Basic information
- CAS
120703-02-8- Standard SMILES
O=C(O)CN1CCNCCNCC1- InChIKey
SQWPTEOHBLSZQE-UHFFFAOYSA-N- Molecular formula
- C8H17N3O2
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.13207679
Names & identifiers
- Preferred name
- 2-(1,4,7-Triazonan-1-yl)acetic acid
- IUPAC
- 2-(1,4,7-triazonan-1-yl)acetic acid
Names & synonyms
NSC6968572-(1,4,7-triazonan-1-yl)acetic acid120703-02-81,4,7-Triazacyclononane-1-acetic acidSCHEMBL472190CHEMBL1967498DTXSID303278581,4,7-Triazonan-1-ylacetic acid(1,4,7-Triazonan-1-yl)acetic acidNSC-696857NCI60_034497
Database identifiers
- CAS
120703-02-8- PubChem CID
- 393897
- DTXSID
DTXSID30327858- ChEMBL
CHEMBL1967498- Nikkaji
- J707.471I
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 153
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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