Basic information
- CAS
68052-57-3- Standard SMILES
CC1(C)CC(N)CC(C)(CN)C1.CCC(CO)(CO)CO.NCCO.O=C1CCCCCO1.O=C=NC1CCC(CC2CCC(N=C=O)CC2)CC1.OCCOCCO- InChIKey
VOCXWVOWTOEEIS-UHFFFAOYSA-N- Molecular formula
- C43H85N5O11
- Average molar mass
- 848.2 g/mol
Names & identifiers
- Preferred name
- 2-Aminoethanol;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(2-hydroxyethoxy)ethanol;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane;oxepan-2-one
- IUPAC
- 2-aminoethanol;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(2-hydroxyethoxy)ethanol;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane;oxepan-2-one
- English name
- 2-Oxepanone, polymer with 2-aminoethanol, 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,1'-methylenebis[4-isocyanatocyclohexane] and 2,2'-oxybis[ethanol]
- Molecular formula
- C43H85N5O11
- Molecular weight
- 848.1619
Names & synonyms
2-Oxepanone, polymer with 2-aminoethanol, 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,1'-methylenebis[4-isocyanatocyclohexane] and 2,2'-oxybis[ethanol]
Database identifiers
- CAS
68052-57-3
Properties
Computed structural properties
- Topological polar surface area
- 294 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 14
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 682
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Oxepanone, polymer with 2-aminoethanol, 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,1'-methylenebis[4-isocyanatocyclohexane] and 2,2'-oxybis[ethanol] (68052-57-3)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…