Basic information
- CAS
97558-87-7- Standard SMILES
C1CN2CCN1CC2.CCCCC(CC)C(=O)O- InChIKey
ODKVLQSZENFTOH-UHFFFAOYSA-N- Molecular formula
- C14H28N2O2
- Average molar mass
- 256.38 g/mol
- Monoisotopic mass
- 256.21507814
Names & identifiers
- Preferred name
- Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (1:?)
- IUPAC
- 1,4-diazabicyclo[2.2.2]octane;2-ethylhexanoic acid
- English name
- Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo2.2.2octane
- Molecular formula
- C14H28N2O2
- Molecular weight
- 256.38432
Names & synonyms
97558-87-7RefChem:146183DTXSID109138392-Ethylhexanoic acid--1,4-diazabicyclo[2.2.2]octane (1/1)Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo2.2.2octane
Database identifiers
- CAS
97558-87-7- PubChem CID
- 175706
- DTXSID
DTXSID10913839
Properties
Computed structural properties
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- EPA Substance Registry System
- 2 · Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (97558-87-7)
- 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.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo2.2.2octane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (1:?): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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