2-Amino-4-ethylphenol
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Basic information
- CAS
94109-11-2- Standard SMILES
CCc1ccc(O)c(N)c1- InChIKey
LUKYIMOTPSTGQB-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- 2-Amino-4-ethylphenol
- IUPAC
- 2-amino-4-ethylphenol
- English name
- 2-amino-4-ethylphenol
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
2-Amino-4-ethylphenol94109-11-2phenol, 2-amino-4-ethyl-6M2KNE3TLWEINECS 302-449-04-ETHYL-2-AMINOPHENOLDTXSID20240603RefChem:85197DTXCID10163094302-449-0MFCD000517082-Amino-4-ethyl-phenol
Show more names
2-amino-4-ethylphenol(SALTDATA: FREE)
UNII-6M2KNE3TLWOprea1_104012SCHEMBL1025691ALBB-010241BBL008072SBB000071STK021962AKOS000108843
Database identifiers
- CAS
94109-11-2- PubChem CID
- 721885
- DTXSID
DTXSID20240603- UNII
- 6M2KNE3TLW
- EC Number
- 302-449-0
- Nikkaji
- J318.763B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Melting point
- 137 · 137-138 °C (decomp)
- Boiling point
- 257.7 · 257.7±28.0 °C(Predicted)
- Density
- 1.115 · 1.115±0.06 g/cm3(Predicted)
- pka
- 10.1 · 10.10±0.18(Predicted)
- form
- solid
- InChI
- 1S/C8H11NO/c1-2-6-3-4-8(10)7(9)5-6/h3-5,10H,2,9H2,1H3
- InChIKey
- LUKYIMOTPSTGQB-UHFFFAOYSA-N
- SMILES
- CCC1=CC=C(O)C(N)=C1
- FDA UNII
- 6 M2KNE3TLW · 6M2KNE3TLW
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
- wgk
- WGK 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Related reactions
7 records
Compound notes
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