4-(2-Aminopropyl)-2,6-xylenol
Basic information
- CAS
24160-31-4- Standard SMILES
Cc1cc(CC(C)N)cc(C)c1O- InChIKey
ZXGDIDJCGJRCPE-UHFFFAOYSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101417
Names & identifiers
- Preferred name
- 4-(2-Aminopropyl)-2,6-xylenol
- IUPAC
- 4-(2-aminopropyl)-2,6-dimethylphenol
Names & synonyms
4-(2-Aminopropyl)-2,6-xylenolSZX3M272C02,6-Xylenol, 4-(2-aminopropyl)-UNII-SZX3M272C0Phenol, 4-(2-aminopropyl)-2,6-dimethyl-24160-31-44-(2-aminopropyl)-2,6-dimethylphenolDTXSID001291202Q27289486
Database identifiers
- CAS
24160-31-4- PubChem CID
- 90675
- DTXSID
DTXSID001291202- UNII
- SZX3M272C0
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 148
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Compound notes
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