4-[(Thiophen-2-ylmethyl)-amino]-phenol
Basic information
- CAS
3139-28-4- Standard SMILES
Oc1ccc(NCc2cccs2)cc1- InChIKey
RCGVPMFFTDNWMF-UHFFFAOYSA-N- Molecular formula
- C11H11NOS
- Average molar mass
- 205.28 g/mol
- Monoisotopic mass
- 205.05613515
Names & identifiers
- Preferred name
- 4-[(Thiophen-2-ylmethyl)-amino]-phenol
- IUPAC
- 4-(thiophen-2-ylmethylamino)phenol
- English name
- 4-[(Thiophen-2-ylmethyl)-amino]-phenol
- Molecular formula
- C11H11NOS
- Molecular weight
- 205.28
Names & synonyms
3139-28-44-[(Thiophen-2-ylmethyl)-amino]-phenol4-((Thiophen-2-ylmethyl)amino)phenol4-(thiophen-2-ylmethylamino)phenol4-{[(thiophen-2-yl)methyl]amino}phenol4-[(2-thienylmethyl)amino]phenol4-[(thiophen-2-ylmethyl)amino]phenol4-((thien-2-ylmethyl)amino)phenol4-[(thien-2-ylmethyl)amino]phenolChemDiv2_001517Cambridge id 7112428Oprea1_545380
Show more names
TIMTEC-BB SBB011122Phenol, 4-[(2-thienylmethyl)amino]-
MLS0012125724-(2-thienylmethylamino)phenolCHEMBL1347279DTXSID70354340HMS1373E21HMS2842O23SBB011122STK513763
Database identifiers
- CAS
3139-28-4- PubChem CID
- 769669
- DTXSID
DTXSID70354340- ChEMBL
CHEMBL1347279
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Experimental & physicochemical properties
Solubility26.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 105 °C · 105 °C
- Boiling point
- 375.5 · 375.5±27.0 °C(Predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.85 · 10.85±0.26(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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