Basic information
- CAS
13998-73-7- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCCNCCCNC(=O)CCCCCCCCCCCCCCCCC- InChIKey
VVCMLFGVBUXGEC-UHFFFAOYSA-N- Molecular formula
- C42H85N3O2
- Average molar mass
- 664.1 g/mol
- Monoisotopic mass
- 663.66417896
Names & identifiers
- Preferred name
- Octadecanamide, N,N'-(iminodi-3,1-propanediyl)bis-
- IUPAC
- N-[3-[3-(octadecanoylamino)propylamino]propyl]octadecanamide
- English name
- N,N'-(iminodipropane-1,3-diyl)distearamide
- Molecular formula
- C42H85N3O2
- Molecular weight
- 664.14
Names & synonyms
13998-73-7Octadecanamide, N,N'-(iminodi-3,1-propanediyl)bis-N,N'-(Iminodipropane-1,3-diyl)distearamideEINECS 237-799-2N,N'-Iminobis(dipropylenedistearamide)DTXSID5065691RefChem:855479DTXCID8034534237-799-2N-[3-[3-(octadecanoylamino)propylamino]propyl]octadecanamideNSC647761NSC-647761
Show more names
N,N'-[Iminobis(3,1-propanediyl)]bisoctadecanamide
2CXA7GRZ64CHEMBL1975267VVCMLFGVBUXGEC-UHFFFAOYSA-NNCI60_016613NS00024533Octadecanamide, N,N'-[iminobis(trimethylene)]bis-N,N'-(Iminodi-3,1-propanediyl)bis[octadecanamide]N,N'-[Azanediyldi(propane-3,1-diyl)]dioctadecanamide
Database identifiers
- CAS
13998-73-7- PubChem CID
- 84145
- DTXSID
DTXSID5065691- ChEMBL
CHEMBL1975267- UNII
- 2CXA7GRZ64
- EC Number
- 237-799-2
Properties
Computed structural properties
- XLogP
- 16
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 40
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 575
Physicochemical properties
- Melting point
- 115 · 115-117 °C
- Boiling point
- 779.2 · 779.2±45.0 °C(Predicted)
- Density
- 0.894 · 0.894±0.06 g/cm3(Predicted)
- pka
- 15.99 · 15.99±0.46(Predicted)
- EPA Substance Registry System
- Octadecanamide, N,N'-(iminodi-3,1-propanediyl)bis- (13998-73-7)
- 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 Classification
This chemical does not meet GHS hazard criteria for 100% (6 of 6) of all reports.
Not Classified
Aggregated GHS information provided per 6 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanamide, N,N'-(iminodi-3,1-propanediyl)bis-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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