1H-Imidazole-1-hexanoic acid, epsilon-oxo-
Basic information
- CAS
60718-46-9- Standard SMILES
O=C(O)CCCCC(=O)n1ccnc1- InChIKey
FEDLMADKMHOMPF-UHFFFAOYSA-N- Molecular formula
- C9H12N2O3
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.08479225
Names & identifiers
- Preferred name
- 1H-Imidazole-1-hexanoic acid, epsilon-oxo-
- IUPAC
- 6-imidazol-1-yl-6-oxohexanoic acid
- English name
- 6-(1H-imidazol-1-yl)-6-oxohexanoic acid
- Molecular formula
- C9H12N2O3
- Molecular weight
- 196.2
Names & synonyms
1H-Imidazole-1-hexanoic acid, epsilon-oxo-RefChem:4383701H-Imidazole-1-hexanoic acid, .epsilon.-oxo-6-(1H-Imidazol-1-yl)-6-oxohexanoic acidAdipic acid imidazole monoamide60718-46-9Y7CN97VX2EAdipic acid, imidazole monoamideEINECS 262-389-5UNII-Y7CN97VX2ESCHEMBL8032072DTXSID9069425
Show more names
1H-Imidazole-1-hexanoic acid, ε-oxo-
FEDLMADKMHOMPF-UHFFFAOYSA-NDB-296291NS00054327
Database identifiers
- CAS
60718-46-9- PubChem CID
- 109002
- DTXSID
DTXSID9069425- UNII
- Y7CN97VX2E
- EC Number
- 262-389-5
- Nikkaji
- J268.271K
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- FDA UNII
- 7 CN97VX2E · Y7CN97VX2E
- EPA Substance Registry System
- Adipic acid imidazole monoamide (60718-46-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Imidazole-1-hexanoic acid, .epsilon.-oxo-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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