Aniline, 4,4'-(trimethylenedioxy)bis(N-methyl-, dihydrochloride
Basic information
- CAS
107413-93-4- Standard SMILES
C[NH2+]c1ccc(OCCCOc2ccc([NH2+]C)cc2)cc1.[Cl-].[Cl-]- InChIKey
UTPSRCWJJARFMM-UHFFFAOYSA-N- Molecular formula
- C17H24Cl2N2O2
- Average molar mass
- 359.3 g/mol
- Monoisotopic mass
- 358.1214834
Names & identifiers
- Preferred name
- Aniline, 4,4'-(trimethylenedioxy)bis(N-methyl-, dihydrochloride
- IUPAC
- methyl-[4-[3-[4-(methylazaniumyl)phenoxy]propoxy]phenyl]azanium dichloride
Names & synonyms
107413-93-4M & B 2519ANILINE, 4,4'-(TRIMETHYLENEDIOXY)BIS(N-METHYL-, DIHYDROCHLORIDE4,4'-(Trimethylenedioxy)bis(N-methylaniline) dihydrochlorideRefChem:319609methyl-[4-[3-[4-(methylazaniumyl)phenoxy]propoxy]phenyl]azanium;dichlorideMETHYL-[4-[3-(4-METHYLAMMONIOPHENOXY)PROPOXY]PHENYL]AZANIUM DICHLORIDE
Database identifiers
- CAS
107413-93-4- PubChem CID
- 60188
Properties
Computed structural properties
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 234
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Compound notes
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