Basic information
- CAS
69178-39-8- Standard SMILES
CCC(CO)(COC(=O)CCCCCN)COC(=O)C1CCCCC1C(=O)O- InChIKey
CPEPBVDDMUAZAA-UHFFFAOYSA-N- Molecular formula
- C20H35NO7
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.24135246
Names & identifiers
- Preferred name
- 1,2-Cyclohexanedicarboxylic acid, 1-(2-(((6-amino-1-oxohexyl)oxy)methyl)-2-(hydroxymethyl)butyl) ester
- IUPAC
- 2-[2-(6-aminohexanoyloxymethyl)-2-(hydroxymethyl)butoxy]carbonylcyclohexane-1-carboxylic acid
- English name
- [2-[[(6-amino-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)butyl] hydrogen cyclohexane-1,2-dicarboxylate
- Molecular formula
- C20H35NO7
- Molecular weight
- 401.4944
Names & synonyms
EINECS 273-903-2DTXSID008876511,2-Cyclohexanedicarboxylic acid, 1-(2-(((6-amino-1-oxohexyl)oxy)methyl)-2-(hydroxymethyl)butyl) ester1,2-Cyclohexanedicarboxylic acid, mono(2-(((6-amino-1-oxohexyl)oxy)methyl)-2-(hydroxymethyl)butyl) ester1,2-Cyclohexanedicarboxylic acid, 1-[2-[[(6-amino-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)butyl] ester1,2-Cyclohexanedicarboxylic acid, mono[2-[[(6-amino-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)butyl] esterRefChem:411450DTXCID1087639969178-39-82-{[2-{[(6-aminohexanoyl)oxy]methyl}-2-(hydroxymethyl)butoxy]carbonyl}cyclohexanecarboxylic acid2-{[2-{[(6-Aminohexanoyl)oxy]methyl}-2-(hydroxymethyl)butoxy]carbonyl}cyclohexane-1-carboxylic acidDTXSID30276115
Show more names
[2-[[(6-amino-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)butyl] hydrogen cyclohexane-1,2-dicarboxylate1,2-Cyclohexanedicarboxylic acid hydrogen 1-[2-[[(6-amino-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)butyl] ester
CPEPBVDDMUAZAA-UHFFFAOYSA-NNS00063363(2-(((6-Amino-1-oxohexyl)oxy)methyl)-2-(hydroxymethyl)butyl) hydrogen cyclohexane-1,2-dicarboxylate
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 511
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,2-Cyclohexanedicarboxylic acid, mono[2-[[(6-amino-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)butyl] ester (69178-39-8)
- 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 Information1,2-Cyclohexanedicarboxylic acid, 1-[2-[[(6-amino-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)butyl] ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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