Basic information
- CAS
2439-54-5- Standard SMILES
CCCCCCCCNC- InChIKey
SEGJNMCIMOLEDM-UHFFFAOYSA-N- Molecular formula
- C9H21N
- Average molar mass
- 143.27 g/mol
- Monoisotopic mass
- 143.16739967
Overview
N-Methyloctan-1-amine is a secondary amino compound.
Names & identifiers
- Preferred name
- Octylmethylamine
- IUPAC
- N-methyloctan-1-amine
- English name
- N-METHYLOCTYLAMINE
- Molecular formula
- C9H21N
- Molecular weight
- 143.27
Names & synonyms
n-methyloctan-1-amine2439-54-5N-MethyloctylamineN-Methyl-n-octylamineOctylmethylamineMethyl(octyl)amine1-Octanamine, N-methyl-MethyloctylamineN-Methyl-1-octanamineN-Octyl-N-methylamine4O0O17JZ7DDTXSID9044619
Show more names
n-MethyloctylaminN-OCTYLMETHYLAMINEN-MethyloCLylaMinen-methyl-1-octanamin
N-Methyl-N-n-octylamineEINECS 219-462-1DTXCID7024619RefChem:856136MFCD00048927UNII-4O0O17JZ7DN-Methyl-octylamineMETHYL-n-OCTYLAMINE
Database identifiers
- CAS
2439-54-5- PubChem CID
- 75538
- DTXSID
DTXSID9044619- ChEMBL
CHEMBL3184897- ChEBI
CHEBI:228566- UNII
- 4O0O17JZ7D
- EC Number
- 219-462-1
- Nikkaji
- J97.825F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 52.7
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -13 °C · -13°C
- Boiling point
- 68 °C · 68 °C (8 mmHg)
- Density
- 0.79 · 0.79
- refractive index
- 1.426 · 1.426-1.428
- Flash point
- 63 °C · 63 °C
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 10.93 · 10.93±0.10(Predicted)
- form
- Liquid
- color
- Clear colorless to yellow
- Sensitive
- Air Sensitive
- Henry's Law Constant
- 5.4 · 5.4×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- InChI
- InChI=1S/C9H21N/c1-3-4-5-6-7-8-9-10-2/h10H,3-9H2,1-2H3
- InChIKey
- SEGJNMCIMOLEDM-UHFFFAOYSA-N
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- ridadr
- 2735
- hs_code
- 29211999
- risk_code
- 34-43-41-26-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi,Xn
- safety_code
- 36/37/39-28A-25-37-36-26
- hazard_class
- 8
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- II
- Hazard statements
- H227-H314-H318
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Octanamine, N-methyl-: ACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
16 records
Compound notes
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