N-(2,4,4-Trimethylpentan-2-yl)prop-2-enimidic acid--6-methylheptyl prop-2-enoate (1/1)
Basic information
- CAS
70069-81-7- Standard SMILES
C=CC(=O)NC(C)(C)CC(C)(C)C.C=CC(=O)OCCCCCC(C)C- InChIKey
PVMRSDCONLCOEL-UHFFFAOYSA-N- Molecular formula
- C22H41NO3
- Average molar mass
- 367.6 g/mol
- Monoisotopic mass
- 367.30864417
Names & identifiers
- Preferred name
- N-(2,4,4-Trimethylpentan-2-yl)prop-2-enimidic acid--6-methylheptyl prop-2-enoate (1/1)
- IUPAC
- 6-methylheptyl prop-2-enoate;N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
- English name
- 2-Propenoic acid, isooctyl ester, polymer with N-(1,1,3,3-tetramethylbutyl)-2-propenamide
- Molecular formula
- C22H41NO3
- Molecular weight
- 367.56584
Names & synonyms
DTXSID10990307PVMRSDCONLCOEL-UHFFFAOYSA-NN-(2,4,4-Trimethylpentan-2-yl)prop-2-enimidic acid--6-methylheptyl prop-2-enoate (1/1)2-Propenoic acid, isooctyl ester, polymer with N-(1,1,3,3-tetramethylbutyl)-2-propenamide
Database identifiers
- CAS
70069-81-7- PubChem CID
- 44149352
- DTXSID
DTXSID10990307
Properties
Computed structural properties
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Propenoic acid, isooctyl ester, polymer with N-(1,1,3,3-tetramethylbutyl)-2-propenamide (70069-81-7)
- 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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