Basic information
- CAS
6281-72-7- Standard SMILES
CCCCCCCCCCCCCCCCCCNCCC#N- InChIKey
GUBPKKGRODRXPY-UHFFFAOYSA-N- Molecular formula
- C21H42N2
- Average molar mass
- 322.6 g/mol
- Monoisotopic mass
- 322.33479935
Names & identifiers
- Preferred name
- 3-Octadecylaminopropiononitrile
- IUPAC
- 3-(octadecylamino)propanenitrile
- English name
- 3-octadecylaminopropiononitrile
- Molecular formula
- C21H42N2
- Molecular weight
- 322.57158
Names & synonyms
3-OctadecylaminopropiononitrilePropanenitrile, 3-(octadecylamino)-6281-72-77D35H74NQXNSC-5848EINECS 228-494-5AI3-24580DTXSID9075400NSC 5848RefChem:504549DTXCID5043558228-494-5
Show more names
3-(octadecylamino)propanenitrileNSC5848UNII-7D35H74NQXSCHEMBL6613226N-octadecyl-3-aminopropionitrileGUBPKKGRODRXPY-UHFFFAOYSA-NNS00035182
Database identifiers
- CAS
6281-72-7- PubChem CID
- 80490
- DTXSID
DTXSID9075400- UNII
- 7D35H74NQX
- EC Number
- 228-494-5
- Nikkaji
- J206.837K
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 19
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- FDA UNII
- 7 D35H74NQX · 7D35H74NQX
- EPA Substance Registry System
- 3 · Propanenitrile, 3-(octadecylamino)- (6281-72-7)
- 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.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-(octadecylamino)-: 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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