3-((2-((2-Aminoethyl)amino)ethyl)amino)-2-hydroxypropyl neodecanoate
Basic information
- CAS
93919-60-9- Standard SMILES
CC(C)(C)CCCCCC(=O)OCC(O)CNCCNCCN- InChIKey
IVWNWZQVYIWMRA-UHFFFAOYSA-N- Molecular formula
- C17H37N3O3
- Average molar mass
- 331.5 g/mol
- Monoisotopic mass
- 331.28349205
Overview
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Names & identifiers
- Preferred name
- 3-((2-((2-Aminoethyl)amino)ethyl)amino)-2-hydroxypropyl neodecanoate
- IUPAC
- [3-[2-(2-aminoethylamino)ethylamino]-2-hydroxypropyl] 7,7-dimethyloctanoate
- English name
- 3-[[2-[(2-aminoethyl)amino]ethyl]amino]-2-hydroxypropyl neodecanoate
- Molecular formula
- C17H37N3O3
- Molecular weight
- 331.49398
Names & synonyms
93919-60-9EINECS 300-044-33-((2-((2-Aminoethyl)amino)ethyl)amino)-2-hydroxypropyl neodecanoateDTXSID10917110IVWNWZQVYIWMRA-UHFFFAOYSA-N3-({2-[(2-AMINOETHYL)AMINO]ETHYL}AMINO)-2-HYDROXYPROPYL 7,7-DIMETHYLOCTANOATE3-[[2-[(2-aminoethyl)amino]ethyl]amino]-2-hydroxypropyl neodecanoate
Database identifiers
- CAS
93919-60-9- PubChem CID
- 44148342
- DTXSID
DTXSID10917110- EC Number
- 300-044-3
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
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Compound notes
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