Basic information
- CAS
3605-77-4- Standard SMILES
CCCCCCCCCCCCCCCCOCCC#N- InChIKey
UAHOEGZWOAYFTI-UHFFFAOYSA-N- Molecular formula
- C19H37NO
- Average molar mass
- 295.5 g/mol
- Monoisotopic mass
- 295.2875148
Names & identifiers
- Preferred name
- Propanenitrile, 3-(hexadecyloxy)-
- IUPAC
- 3-hexadecoxypropanenitrile
- English name
- 3-(Hexadecyloxy)propanenitrile
- Molecular formula
- C19H37NO
- Molecular weight
- 295.51
Names & synonyms
Propanenitrile, 3-(hexadecyloxy)-3605-77-4DTXSID3063099RefChem:869094DTXCID10391313-(hexadecyloxy)propanenitrile3-hexadecoxypropanenitrileUAHOEGZWOAYFTI-UHFFFAOYSA-N3-Hexadecyloxypropionitrile2-Cyanoethylhexadecyl ether3-Hexadecyloxypropiononitrile3-(Hexadecyloxy)propiononitrile
Database identifiers
- CAS
3605-77-4- PubChem CID
- 77155
- DTXSID
DTXSID3063099- EC Number
- 694-846-3
- Nikkaji
- J27.788F
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- EPA Substance Registry System
- 3 · Propanenitrile, 3-(hexadecyloxy)- (3605-77-4)
- 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% (22 of 22) of all reports.
Not Classified
Aggregated GHS information provided per 22 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-(hexadecyloxy)-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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