Basic information
- CAS
72066-93-4- Standard SMILES
CC(C)CCCCCCOC(=O)CCCCCN- InChIKey
YTBVJJCLLLCHCU-UHFFFAOYSA-N- Molecular formula
- C15H31NO2
- Average molar mass
- 257.41 g/mol
- Monoisotopic mass
- 257.23547923
Names & identifiers
- Preferred name
- Hexanoic acid, 6-amino-, isononyl ester
- IUPAC
- 7-methyloctyl 6-aminohexanoate
- English name
- 6-Aminohexanoic acid 7-methyloctyl ester
- Molecular formula
- C15H31NO2
- Molecular weight
- 257.42
Names & synonyms
Isononyl 6-aminohexanoateHexanoic acid, 6-amino-, isononyl esterDTXSID5072480RefChem:146246DTXCID204719772066-93-47-methyloctyl 6-aminohexanoateYTBVJJCLLLCHCU-UHFFFAOYSA-N6-Aminohexanoic acid 7-methyloctyl ester
Database identifiers
- CAS
72066-93-4- PubChem CID
- 3085692
- DTXSID
DTXSID5072480- Nikkaji
- J447.027C
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- EPA Substance Registry System
- 6 · Isononyl 6-aminohexanoate (72066-93-4)
- 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 InformationHexanoic acid, 6-amino-, isononyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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