2-Amino-4-chloro-3,5-dimethylphenol
Basic information
- CAS
5428-46-6- Standard SMILES
Cc1cc(O)c(N)c(C)c1Cl- InChIKey
NMAZQRPNNZAYIW-UHFFFAOYSA-N- Molecular formula
- C8H10ClNO
- Average molar mass
- 171.62 g/mol
- Monoisotopic mass
- 171.0450916
Names & identifiers
- Preferred name
- 2-Amino-4-chloro-3,5-dimethylphenol
- IUPAC
- 2-amino-4-chloro-3,5-dimethylphenol
- English name
- 2-Amino-4-chloro-3,5-dimethylphenol
- Molecular formula
- C8H10ClNO
- Molecular weight
- 171.62
Names & synonyms
2-amino-4-chloro-3,5-dimethylphenol5428-46-62-Amino-4-chloro-3,5-dimethyl-phenolNSC12968Phenol,2-amino-4-chloro-3,5-dimethyl-SCHEMBL9493725CHEMBL1620826DTXSID40279516BBL002705MFCD06666170NSC-12968SBB010532
Show more names
AKOS BB-7722ASISCHEM B52509TIMTEC-BB SBB010532ART-CHEM-BB B025281Phenol, 2-amino-4-chloro-3,5-dimethyl-
STK199510AKOS000108844VS-01174DB-216975CS-0317646ST50321604
Database identifiers
- CAS
5428-46-6- PubChem CID
- 224484
- DTXSID
DTXSID40279516- ChEMBL
CHEMBL1620826
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Melting point
- 148 · 148-149 °C
- Boiling point
- 294 · 294.0±40.0 °C(Predicted)
- Density
- 1.274 · 1.274±0.06 g/cm3(Predicted)
- pka
- 9.56 · 9.56±0.28(Predicted)
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Related reactions
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Compound notes
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