Basic information
- CAS
1251-31-6- Standard SMILES
N#CC(CCN1CCOCC1)(CCN1CCOCC1)c1cccc2ccccc12- InChIKey
LXZKOQFDJOEMNI-UHFFFAOYSA-N- Molecular formula
- C24H31N3O2
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.24162724
Names & identifiers
- Preferred name
- 1-Naphthaleneacetonitrile, alpha,alpha-bis(2-morpholinoethyl)-
- IUPAC
- 4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylbutanenitrile
- English name
- α,α-Bis(2-morpholinoethyl)-1-naphthaleneacetonitrile
- Molecular formula
- C24H31N3O2
- Molecular weight
- 393.52184
Names & synonyms
alpha,alpha-Bis(2-morpholinoethyl)-1-naphthaleneacetonitrile1251-31-6BRN 05837241-NAPHTHALENEACETONITRILE, alpha,alpha-BIS(2-MORPHOLINOETHYL)-DTXSID00154638RefChem:232214DTXCID70771294-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylbutanenitrile4-(morpholin-4-yl)-2-[2-(morpholin-4-yl)ethyl]-2-(naphthalen-1-yl)butanenitrileα,α-Bis(2-morpholinoethyl)-1-naphthaleneacetonitrile
Database identifiers
- CAS
1251-31-6- PubChem CID
- 14734
- DTXSID
DTXSID00154638- Nikkaji
- J40.619H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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