Basic information
- CAS
2572-75-0- Standard SMILES
N#CC(CCN1CCOCC1)c1cccc2ccccc12- InChIKey
WHKRMZWZYJGMCN-UHFFFAOYSA-N- Molecular formula
- C18H20N2O
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.15756327
Names & identifiers
- Preferred name
- 1-Naphthaleneacetonitrile, alpha-(2-morpholinoethyl)-
- IUPAC
- 4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile
- English name
- 1-NAPHTHALENEACETONITRILE, alpha-(2-MORPHOLINOETHYL)-
- Molecular formula
- C18H20N2O
- Molecular weight
- 280.36
Names & synonyms
2572-75-01-NAPHTHALENEACETONITRILE, alpha-(2-MORPHOLINOETHYL)-RefChem:1055956BRN 0541951alpha-(2-Morpholinoethyl)-1-naphthaleneacetonitrileDTXSID309486034-(MORPHOLIN-4-YL)-2-(NAPHTHALEN-1-YL)BUTANENITRILEα-(1-Naphtyl)-4-morpholinebutyronitrile4-Morpholinebutanenitrile, α-1-naphthalenyl-
Database identifiers
- CAS
2572-75-0- PubChem CID
- 17396
- DTXSID
DTXSID30948603- Nikkaji
- J42.419F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Boiling point
- 476.5 · 476.5±45.0 °C(Predicted)
- Density
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- pka
- 6.83 · 6.83±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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