2-(Diethylamino)ethyl 2-(naphthalen-1-yl)pent-4-enoate
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Basic information
- CAS
3216-54-4- Standard SMILES
C=CCC(C(=O)OCCN(CC)CC)c1cccc2ccccc12- InChIKey
VCGAKFSCYYVKIR-UHFFFAOYSA-N- Molecular formula
- C21H27NO2
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.2041791
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 2-(naphthalen-1-yl)pent-4-enoate
- IUPAC
- 2-(diethylamino)ethyl 2-naphthalen-1-ylpent-4-enoate
- English name
- α-Allyl-1-naphthaleneacetic acid 2-(diethylamino)ethyl ester
- Molecular formula
- C21H27NO2
- Molecular weight
- 325.44
Names & synonyms
3216-54-4DTXSID009540342-(diethylamino)ethyl 2-(naphthalen-1-yl)pent-4-enoateRefChem:1061643DTXCID101382068BRN 20016072-(Diethylamino)ethyl alpha-allyl-1-naphthaleneacetate2'-(N,N-Diethylamino)ethyl alpha-allyl-1-naphthaleneacetate1-NAPHTHALENEACETIC ACID, alpha-ALLYL-, 2'-(N,N-DIETHYLAMINO)ETHYL ESTERalpha-Allyl-1-naphthaleneacetic acid 2-(diethylamino)ethyl esterα-Allyl-1-naphthaleneacetic acid 2-(diethylamino)ethyl ester1-Naphthaleneacetic acid, α-2-propen-1-yl-, 2-(diethylamino)ethyl ester
Database identifiers
- CAS
3216-54-4- PubChem CID
- 18585
- DTXSID
DTXSID00954034- Nikkaji
- J42.380G
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Boiling point
- 437.3 · 437.3±30.0 °C(Predicted)
- Density
- 1.044 · 1.044±0.06 g/cm3(Predicted)
- pka
- 9.21 · 9.21±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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