(((6-Aminohexyl)amino)methyl)dimethylphenol
Basic information
- CAS
84878-43-3- Standard SMILES
Cc1c(O)ccc(CNCCCCCCN)c1C- InChIKey
KKZDQRAGHCFCAC-UHFFFAOYSA-N- Molecular formula
- C15H26N2O
- Average molar mass
- 250.38 g/mol
- Monoisotopic mass
- 250.20451346
Names & identifiers
- Preferred name
- (((6-Aminohexyl)amino)methyl)dimethylphenol
- IUPAC
- 4-[(6-aminohexylamino)methyl]-2,3-dimethylphenol
- English name
- [[(6-aminohexyl)amino]methyl]dimethylphenol
- Molecular formula
- C15H26N2O
- Molecular weight
- 250.37974
Names & synonyms
(((6-Aminohexyl)amino)methyl)dimethylphenol84878-43-3KKZDQRAGHCFCAC-UHFFFAOYSA-NEinecs 284-435-3[[(6-aminohexyl)amino]methyl]dimethylphenol4-[(6-aminohexylamino)methyl]-2,3-dimethyl-phenol
Database identifiers
- CAS
84878-43-3- PubChem CID
- 3020196
- EC Number
- 284-435-3
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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