N-(2-aminoethyl)-N'-octadecylethylenediamine
Basic information
- CAS
7261-63-4- Standard SMILES
CCCCCCCCCCCCCCCCCCNCCNCCN- InChIKey
DBNYMXPUYZOHQN-UHFFFAOYSA-N- Molecular formula
- C22H49N3
- Average molar mass
- 355.6 g/mol
- Monoisotopic mass
- 355.39264858
Names & identifiers
- Preferred name
- N-(2-aminoethyl)-N'-octadecylethylenediamine
- IUPAC
- N'-[2-(octadecylamino)ethyl]ethane-1,2-diamine
- English name
- N-(2-aminoethyl)-N'-octadecylethylenediamine
- Molecular formula
- C22H49N3
- Molecular weight
- 355.64456
Names & synonyms
7261-63-4N-(2-Aminoethyl)-N'-octadecylethylenediamineEINECS 230-683-2DTXSID70222934RefChem:824941DTXCID00145425230-683-2N'-[2-(octadecylamino)ethyl]ethane-1,2-diamine8HHK23ET9BSCHEMBL405903DBNYMXPUYZOHQN-UHFFFAOYSA-NNS00022730
Show more names
N-(2-Aminoethyl)-N'-octadecyl-1,2-ethanediamine
N1-(2-Aminoethyl)-N2-octadecyl-1,2-ethanediamine1,2-Ethanediamine, N1-(2-aminoethyl)-N2-octadecyl-N~1~-(2-Aminoethyl)-N~2~-octadecylethane-1,2-diamine
Database identifiers
- CAS
7261-63-4- PubChem CID
- 81683
- DTXSID
DTXSID70222934- UNII
- 8HHK23ET9B
- EC Number
- 230-683-2
- Nikkaji
- J212.273A
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 22
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 454.9 · 454.9±13.0 °C(Predicted)
- Density
- 0.861 · 0.861±0.06 g/cm3(Predicted)
- pka
- 10.19 · 10.19±0.19(Predicted)
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- REACH Registrations
- Active
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
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,2-Ethanediamine, N-(2-aminoethyl)-N'-octadecyl-
REACH registered substance: N-(2-aminoethyl)-N'-octadecylethylenediamine (EC: 230-683-2)
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Hazard statements
- H317
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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