1-Propanamine, 3-[(2-ethylhexyl)oxy]-, acetate (1:1)
Basic information
- CAS
51755-37-4- Standard SMILES
CC(=O)O.CCCCC(CC)COCCCN- InChIKey
JLCVIBWCTKPHCN-UHFFFAOYSA-N- Molecular formula
- C13H29NO3
- Average molar mass
- 247.37 g/mol
- Monoisotopic mass
- 247.21474379
Names & identifiers
- Preferred name
- 1-Propanamine, 3-[(2-ethylhexyl)oxy]-, acetate (1:1)
- IUPAC
- acetic acid;3-(2-ethylhexoxy)propan-1-amine
Names & synonyms
51755-37-4EINECS 257-379-23-(2-Ethylhexyloxy)propylamine acetate1-Propanamine, 3-((2-ethylhexyl)oxy)-, acetateDTXSID008859701-Propanamine, 3-((2-ethylhexyl)oxy)-, acetate (1:1)1-Propanamine, 3-[(2-ethylhexyl)oxy]-, acetate1-Propanamine, 3-[(2-ethylhexyl)oxy]-, acetate (1:1)RefChem:77038DTXCID8010253223-((2-Ethylhexyl)oxy)propylammonium acetateSCHEMBL11238793
Show more names
JLCVIBWCTKPHCN-UHFFFAOYSA-NAcetic acid--3-[(2-ethylhexyl)oxy]propan-1-amine (1/1)
Database identifiers
- CAS
51755-37-4- PubChem CID
- 103533
- DTXSID
DTXSID00885970- EC Number
- 257-379-2
Properties
Computed structural properties
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 127
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanamine, 3-[(2-ethylhexyl)oxy]-, acetate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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