Basic information
- CAS
69178-35-4- Standard SMILES
CCC(CO)(COC(=O)CCCCCN)COC(=O)C1C2CC(C)C(C2)C1C(=O)O- InChIKey
OSUIYPNGJIVLBX-UHFFFAOYSA-N- Molecular formula
- C22H37NO7
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.25700252
Names & identifiers
- Preferred name
- Bicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 5-methyl-, 2-[2-[[(6-amino-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)butyl] ester
- IUPAC
- 3-[2-(6-aminohexanoyloxymethyl)-2-(hydroxymethyl)butoxy]carbonyl-6-methylbicyclo[2.2.1]heptane-2-carboxylic acid
- English name
- 2-[2-[[(6-amino-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)butyl] hydrogen 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate
- Molecular formula
- C22H37NO7
- Molecular weight
- 427.53
Names & synonyms
EINECS 273-900-6Bicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 5-methyl-, 2-[2-[[(6-amino-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)butyl] esterDTXSID40887650Bicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 5-methyl-, 2-(2-(((6-amino-1-oxohexyl)oxy)methyl)-2-(hydroxymethyl)butyl) esterRefChem:568150DTXCID00102693869178-35-4OSUIYPNGJIVLBX-UHFFFAOYSA-NNS000633622-(2-(((6-Amino-1-oxohexyl)oxy)methyl)-2-(hydroxymethyl)butyl) hydrogen 5-methylbicyclo(2.2.1)heptane-2,3-dicarboxylate3-{[2-{[(6-aminohexanoyl)oxy]methyl}-2-(hydroxymethyl)butoxy]carbonyl}-6-methylbicyclo[2.2.1]heptane-2-carboxylic acid2-[2-[[(6-amino-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)butyl] hydrogen 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate
Show more names
5-Methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid 3-hydrogen 2-[2-[[(6-amino-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)butyl] ester
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 610
Physicochemical properties
- Boiling point
- 549.282 · 549.282±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.183 · 1.183±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.377 · 4.377±0.60(predicted)
- EPA Substance Registry System
- 2.2 · Bicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 5-methyl-, 2-[2-[[(6-amino-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)butyl] ester (69178-35-4)
- 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 InformationBicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 5-methyl-, 2-[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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