Caprylamidopropyl dimethylamine

HCID 89889CAS 22890-10-4

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Basic information

Standard SMILES: CCCCCCCC(=O)NCCCN(C)C
InChIKey: RZJGTTOKUNMVCJ-UHFFFAOYSA-N
Molecular formula: C13H28N2O
Average molar mass: 228.37 g/mol
Monoisotopic mass: 228.22016352

Names & identifiers

Preferred name: Caprylamidopropyl dimethylamine
IUPAC: N-[3-(dimethylamino)propyl]octanamide
English name: N-[3-(dimethylamino)propyl]octanamide
Molecular formula: C13H28N2O
Molecular weight: 228.37

Names & synonyms

n-[3-(dimethylamino)propyl]octanamideN-(3-(Dimethylamino)propyl)octanamideOctanamide, N-[3-(dimethylamino)propyl]-Caprylamidopropyl dimethylamineEINECS 245-305-1UNII-98YEL82930Octanamide, N-(3-(dimethylamino)propyl)-98YEL82930DTXSID9066835N-(3-(DIMETHYLAMINO)PROPYL)CAPRYLAMIDEN',N'-DIMETHYL-N-OCTANOYL-1,3-DIAMINOPROPANERefChem:200063

Show more names

octanoic acid [3-(dimethylamino)propyl]amide

DTXCID503676722890-10-4MFCD03208809SCHEMBL3318222AKOS003799403NS00027289G65408N-octanoyl-N',N'-dimethyl-1,3-diaminopropane

Database identifiers

CAS: 22890-10-4
PubChem CID: 89889
DTXSID: DTXSID9066835
UNII: 98YEL82930
EC Number: 245-305-1
Nikkaji: J318.352A

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 10
Heavy atoms: 16
Formal charge: 0
Complexity: 169

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Boiling point: 155 · 155-156 °C(Press: 0.6 Torr)
Density: 0.89 · 0.890±0.06 g/cm3(Predicted)
solubility: soluble in Deuterated Chloroform
form: Solid
pka: 16.42 · 16.42±0.46(Predicted)
color: White
FDA UNII: 98 YEL82930 · 98YEL82930
EPA Substance Registry System: 3 · Octanamide, N-[3-(dimethylamino)propyl]- (22890-10-4)
Symbol(GHS): 5 · GHS05,GHS09
Signal word: Danger
Hazard statements: 410 · H410-H314-H319
Precautionary statements: 273 · P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
TSCA: TSCA listed

Safety & regulation

Hazard information

Regulatory Information · 1 item

Octanamide, N-[3-(dimethylamino)propyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octanamide, N-[3-(dimethylamino)propyl]- 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)

Safety data

tsca: TSCA listed
Signal word: Danger
Symbol(GHS): GHS05,GHS09
Hazard statements: H410-H314-H319
Precautionary statements: P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 75,000 - <500,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 items

All Other Basic Organic Chemical Manufacturing

Octanamide, N-[3-(dimethylamino)propyl]-: ACTIVE

Applications

UsesN-[3-(Dimethylamino)propyl]octanamide is an intermediate in synthesizing Octanoylamide Propylbetaine (O238015), which is an analog of Lauroylamide Betaine (L178620), used cosmetic and hair compositions of enhanced viscosity and clarity.