Basic information
- CAS
14938-54-6- Standard SMILES
C=CCOC(=O)C(CCCN(C)C)(c1cccc2ccccc12)C(C)C- InChIKey
JSQUVMGQWRQVRI-UHFFFAOYSA-N- Molecular formula
- C23H31NO2
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.23547923
Names & identifiers
- Preferred name
- Prop-2-en-1-yl 5-(dimethylamino)-2-(naphthalen-1-yl)-2-(propan-2-yl)pentanoate
- IUPAC
- prop-2-enyl 5-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylpentanoate
- English name
- α-[3-(Dimethylamino)propyl]-α-isopropyl-1-naphthaleneacetic acid allyl ester
- Molecular formula
- C23H31NO2
- Molecular weight
- 353.5
Names & synonyms
14938-54-6DTXSID30933635prop-2-en-1-yl 5-(dimethylamino)-2-(naphthalen-1-yl)-2-(propan-2-yl)pentanoateRefChem:1096649DTXCID801362293alpha-(3-(Dimethylamino)propyl)-alpha-isopropyl-1-naphthaleneacetic acid allyl esteralpha-[3-(Dimethylamino)propyl]-alpha-isopropyl-1-naphthaleneacetic acid allyl esterBRN 2770948prop-2-enyl 5-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylpentanoate1-Naphthaleneacetic acid, alpha-(3-(dimethylamino)propyl)-alpha-isopropyl-, allyl esterα-[3-(Dimethylamino)propyl]-α-isopropyl-1-naphthaleneacetic acid allyl ester1-Naphthaleneacetic acid, α-[3-(dimethylamino)propyl]-α-(1-methylethyl)-, 2-propen-1-yl ester
Database identifiers
- CAS
14938-54-6- PubChem CID
- 26978
- DTXSID
DTXSID30933635- Nikkaji
- J42.385H
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- Boiling point
- 462.4 · 462.4±40.0 °C(Predicted)
- Density
- 1.024 · 1.024±0.06 g/cm3(Predicted)
- pka
- 9.61 · 9.61±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…