N-Methyl-N-octyl-1-octanamine
Basic information
- CAS
4455-26-9- Standard SMILES
CCCCCCCCN(C)CCCCCCCC- InChIKey
YJLYANLCNIKXMG-UHFFFAOYSA-N- Molecular formula
- C17H37N
- Average molar mass
- 255.5 g/mol
- Monoisotopic mass
- 255.29260018
Overview
N-Methyldioctylamine is a tertiary amino compound.
Names & identifiers
- Preferred name
- N-Methyl-N-octyl-1-octanamine
- IUPAC
- N-methyl-N-octyloctan-1-amine
- English name
- N-Methyldioctylamine
- Molecular formula
- C17H37N
- Molecular weight
- 255.48
Names & synonyms
N-Methyldioctylamine4455-26-9Di(octyl)methylamineN,N-DioctylmethylamineDi-n-octylmethylamine1-Octanamine, N-methyl-N-octyl-N,N-Dioctyl-N-methylamineN-Methyl-N-octyl-1-octanamineDTXSID9042209HR4264OL41DTXCID7022209RefChem:830708
Show more names
MA88FENTAMINE MA-D8Methyldioctylaminn-methyl-dioctylaminDioctcyl methyl amine
(N,N-dioctyl)methylamine224-703-9N-Methyldi-n-octylamineMethyldioctylamineN-methyl-N-octyloctan-1-amineDioctylamine, N-methyl-MFCD00009559dioctylmethylamine
Database identifiers
- CAS
4455-26-9- PubChem CID
- 78202
- DTXSID
DTXSID9042209- ChEMBL
CHEMBL3185381- ChEBI
CHEBI:176815- UNII
- HR4264OL41
- EC Number
- 224-703-9
- Nikkaji
- J97.836A
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 14
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 129
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
Physical Description
Liquid; CBI
Clear very slightly yellow liquid; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- -30.1 °C · -30.1 °C (lit.)
- Boiling point
- 162 · 162-165 °C/15 mmHg (lit.)
- Density
- 0.793 g/mL · 0.793 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.4424(lit.)
- Flash point
- 118 °C · 118°C
- solubility
- Dichloromethane
- form
- Oil
- pka
- 9.97 · 9.97±0.50(Predicted)
- color
- Colorless
- InChI
- 1S/C17H37N/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2/h4-17H2,1-3H3
- InChIKey
- YJLYANLCNIKXMG-UHFFFAOYSA-N
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 Classification
This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.
Warning
H315 (93.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Octanamine, N-methyl-N-octyl-
1-Octanamine, N-methyl-N-octyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octanamine, N-methyl-N-octyl- 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)
1-Octanamine, N-methyl-N-octyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA severe skin irritant; [RTECS] An irritant; May induce methemoglobinemia; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (93.5%)
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Safety data
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent)
General Manufacturing Information
All Other Basic Inorganic Chemical Manufacturing
1-Octanamine, N-methyl-N-octyl-: ACTIVE
Applications
UsesMethyldioctylamine is an intermediate in synthesizing Bisoctyl Dimethyl Ammonium Chloride (B508880), which is used in the precipitation of silver ions and may be applied to the novel formation if nanoprecipitations using single reverse micellar system.
General DescriptionN-Methyldioctylamine (N,N,-dioctylmethylamine), a two branched C8 amine is an organic base.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: N-Methyldioctylamine is a tertiary amino compound.
Suppliers
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Related reactions
8 records
Compound notes
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