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4-[1,3-benzodioxol-5-yl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline

HCID 239114
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
6310-52-7
Standard SMILES
CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc3c(c2)OCO3)cc1
InChIKey
AFNKGCCBAXFYEC-UHFFFAOYSA-N
Molecular formula
C24H26N2O2
Average molar mass
374.5 g/mol
Monoisotopic mass
374.19942808

Names & identifiers

Preferred name
4-[1,3-benzodioxol-5-yl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
IUPAC
4-[1,3-benzodioxol-5-yl-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline

Names & synonyms

6310-52-7NSC43914DTXSID30979053NSC-439144,4'-[(2H-1,3-Benzodioxol-5-yl)methylene]bis(N,N-dimethylaniline)

Database identifiers

CAS
6310-52-7
PubChem CID
239114
DTXSID
DTXSID30979053

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
24.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Formal charge
0
Complexity
453

Related reactions

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Compound notes

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