3-(Decyloxy)propan-1-amine
Basic information
- CAS
7617-78-9- Standard SMILES
CCCCCCCCCCOCCCN- InChIKey
TWXCJZHSMRBNGO-UHFFFAOYSA-N- Molecular formula
- C13H29NO
- Average molar mass
- 215.38 g/mol
- Monoisotopic mass
- 215.22491455
Names & identifiers
- Preferred name
- 3-(Decyloxy)propan-1-amine
- IUPAC
- 3-decoxypropan-1-amine
- English name
- 3-Decyloxy propylamine
- Molecular formula
- C13H29NO
- Molecular weight
- 215.38
Names & synonyms
7617-78-91-Propanamine, 3-(decyloxy)-3-(decyloxy)propan-1-amine3-(Decyloxy)propylamine3-Decoxypropane-1-amineEINECS 231-530-29K6D6JV8VZDECYL 3-AMINOPROPYL ETHER3-(DECYLOXY)-1-PROPANAMINEADOGEN 180DTXSID0064751RefChem:494811
Show more names
3-Decyloxy propylamine3-Decyloxy 1-propylamine
DTXCID20478503-DECYLOXYPROPYLAMINE3-decoxypropan-1-amineUNII-9K6D6JV8VZSCHEMBL446395SCHEMBL10353716AKOS009164107NS00019627
Database identifiers
- CAS
7617-78-9- PubChem CID
- 82088
- DTXSID
DTXSID0064751- UNII
- 9K6D6JV8VZ
- EC Number
- 231-530-2
- Nikkaji
- J116.192J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 107
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 152 °C · 152 °C(Press: 13 Torr)
- Density
- 0.85 · 0.850±0.06 g/cm3(Predicted)
- pka
- 9.77 · 9.77±0.10(Predicted)
- FDA UNII
- 9 K6D6JV8VZ · 9K6D6JV8VZ
- EPA Substance Registry System
- 1 · 1-Propanamine, 3-(decyloxy)- (7617-78-9)
- 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.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory Information
1-Propanamine, 3-(decyloxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanamine, 3-(decyloxy)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesEmulsifier
General Manufacturing Information
Mining (except Oil and Gas) and support activities
1-Propanamine, 3-(decyloxy)-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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