Azepan-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
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Basic information
- CAS
57570-53-3- Standard SMILES
CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1.CCC(CO)(CO)CO.O=C1CCCCCN1- InChIKey
YZWTXTICMTVIHN-UHFFFAOYSA-N- Molecular formula
- C24H43N3O6
- Average molar mass
- 469.6 g/mol
Names & identifiers
- Preferred name
- Azepan-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
- IUPAC
- azepan-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
- English name
- 2H-Azepin-2-one, hexahydro-, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 5-isocyanato-1-(isocyanatomethyl) -1,3,3-trimethylcyclohexane
- Molecular formula
- C24H43N3O6
- Molecular weight
- 469.61472
Names & synonyms
YZWTXTICMTVIHN-UHFFFAOYSA-N2H-Azepin-2-one, hexahydro-, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 5-isocyanato-1-(isocyanatomethyl) -1,3,3-trimethylcyclohexane
Database identifiers
- CAS
57570-53-3
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
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Compound notes
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