Basic information
- CAS
26936-72-1- Standard SMILES
CC(C)(C1CCC(N)CC1)C1CCC(N)CC1.NCCCCCCN.O=C(O)CCCCC(=O)O.O=C1CCCCCN1- InChIKey
ZMRQZDSAFULDSC-UHFFFAOYSA-N- Molecular formula
- C33H67N5O5
- Average molar mass
- 613.9 g/mol
- Monoisotopic mass
- 613.51422025
Names & identifiers
- Preferred name
- 4-[2-(4-Aminocyclohexyl)propan-2-yl]cyclohexan-1-amine;azepan-2-one;hexane-1,6-diamine;hexanedioic acid
- IUPAC
- 4-[2-(4-aminocyclohexyl)propan-2-yl]cyclohexan-1-amine;azepan-2-one;hexane-1,6-diamine;hexanedioic acid
- English name
- Hexanedioic acid, polymer with hexahydro-2H-azepin-2-one, 1,6-hexanediamine and 4,4'-(1-methylethylidene)bis[cyclohexanamine]
- Molecular formula
- C33H67N5O5
- Molecular weight
- 613.93
Names & synonyms
Hexanedioic acid, polymer with hexahydro-2H-azepin-2-one, 1,6-hexanediamine and 4,4'-(1-methylethylidene)bis[cyclohexanamine]
Database identifiers
- CAS
26936-72-1- PubChem CID
- 168633
Properties
Computed structural properties
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- EPA Substance Registry System
- -2 H-azepin-2-one, · Hexanedioic acid, polymer with hexahydro-2H-azepin-2-one, 1,6-hexanediamine and 4,4'-(1-methylethylidene)bis[cyclohexanamine] (26936-72-1)
- 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
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