1-Propanamine, 3-(octyloxy)-, acetate (1:1)
Basic information
- CAS
15930-71-9- Standard SMILES
CC(=O)O.CCCCCCCCOCCCN- InChIKey
RUFBKNMLVUJMAM-UHFFFAOYSA-N- Molecular formula
- C13H29NO3
- Average molar mass
- 247.37 g/mol
- Monoisotopic mass
- 247.21474379
Names & identifiers
- Preferred name
- 1-Propanamine, 3-(octyloxy)-, acetate (1:1)
- IUPAC
- acetic acid;3-octoxypropan-1-amine
Names & synonyms
15930-71-91-Propanamine, 3-(octyloxy)-, acetate3-Octoxypropane-1-amine acetateEINECS 240-068-01-Propanamine, 3-(octyloxy)-, acetate (1:1)Propylamine, 3-(octyloxy)-, acetateDTXSID1065972RefChem:77046DTXCID40351263-(Octyloxy)propylammonium acetateacetic acid;3-octoxypropan-1-amineXDC44A8EE4
Show more names
SCHEMBL11239136RUFBKNMLVUJMAM-UHFFFAOYSA-NAcetic acid--3-(octyloxy)propan-1-amine (1/1)
Database identifiers
- CAS
15930-71-9- PubChem CID
- 85193
- DTXSID
DTXSID1065972- UNII
- XDC44A8EE4
- EC Number
- 240-068-0
Properties
Computed structural properties
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 117
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanamine, 3-(octyloxy)-, acetate (1:1): INACTIVE
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Related reactions
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Compound notes
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