Basic information
- CAS
69389-96-4- Standard SMILES
CCNC(C)Cc1ccc(O)cc1- InChIKey
UKAILBXLEBDNCN-UHFFFAOYSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101417
Overview
metabolite of ethylamphetamine
Names & identifiers
- Preferred name
- 4-Hydroxyethylamphetamine
- IUPAC
- 4-[2-(ethylamino)propyl]phenol
- English name
- 4-hydroxyethylamphetamine
- Molecular formula
- C11H17NO
- Molecular weight
- 179.26
Names & synonyms
69389-96-44-Hydroxyethylamphetaminep-HeapRefChem:993194-[2-(ethylamino)propyl]phenol4-(2-(Ethylamino)propyl)phenolSCHEMBL26969037DTXSID00989200Phenol, 4-(2-(ethylamino)propyl)-AKOS017531603DB-166834EN300-8142016
Show more names
Phenol, 4-[2-(ethylamino)propyl]-
Database identifiers
- CAS
69389-96-4- PubChem CID
- 129646
- DTXSID
DTXSID00989200- Nikkaji
- J1.155.977H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 295.5 · 295.5±15.0 °C(Predicted)
- Density
- 0.999 · 0.999±0.06 g/cm3(Predicted)
- pka
- 9.82 · 9.82±0.15(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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