1-Naphthaleneacetaldehyde, alpha,alpha-bis(2-(dimethylamino)ethyl)-
Basic information
- CAS
30120-99-1- Standard SMILES
CN(C)CCC(C=O)(CCN(C)C)c1cccc2ccccc12- InChIKey
XEOBCOZTRNTVFP-UHFFFAOYSA-N- Molecular formula
- C20H28N2O
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.22016352
Names & identifiers
- Preferred name
- 1-Naphthaleneacetaldehyde, alpha,alpha-bis(2-(dimethylamino)ethyl)-
- IUPAC
- 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylbutanal
- English name
- α,α-Bis[2-(dimethylamino)ethyl]-1-naphthaleneacetaldehyde
- Molecular formula
- C20H28N2O
- Molecular weight
- 312.45
Names & synonyms
30120-99-1NSC 180610BRN 21513021-Naphthaleneacetaldehyde, alpha,alpha-bis(2-(dimethylamino)ethyl)-alpha,alpha-Bis(2-(dimethylamino)ethyl)-1-naphthaleneacetaldehydeDTXSID30184206alpha,alpha-Bis[2-(dimethylamino)ethyl]-1-naphthaleneacetaldehyde1-Naphthaleneacetaldehyde, alpha,alpha-bis[2-(dimethylamino)ethyl]-RefChem:232153DTXCID00106697NSC-180610NSC180610
Show more names
α,α-Bis[2-(dimethylamino)ethyl]-1-naphthaleneacetaldehyde1-Naphthaleneacetaldehyde, α,α-bis[2-(dimethylamino)ethyl]-
DU676BE59T4-(DIMETHYLAMINO)-2-[2-(DIMETHYLAMINO)ETHYL]-2-(NAPHTHALEN-1-YL)BUTANAL1-Naphthaleneacetaldehyde,.alpha.-bis[2-(dimethylamino)ethyl]-
Database identifiers
- CAS
30120-99-1- PubChem CID
- 98924
- DTXSID
DTXSID30184206- UNII
- DU676BE59T
- Nikkaji
- J85.483B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 450.7 · 450.7±45.0 °C(Predicted)
- Density
- 1.037 · 1.037±0.06 g/cm3(Predicted)
- pka
- 9.69 · 9.69±0.28(Predicted)
- FDA UNII
- 676 BE59T · DU676BE59T
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Related reactions
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Compound notes
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