5-(1,3-Benzoxazol-2-yl)-2-methoxyaniline
Basic information
- CAS
378222-48-1- Standard SMILES
COc1ccc(-c2nc3ccccc3o2)cc1N- InChIKey
AKUUHWRDNLCHCT-UHFFFAOYSA-N- Molecular formula
- C14H12N2O2
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.08987763
Names & identifiers
- Preferred name
- 5-(1,3-Benzoxazol-2-yl)-2-methoxyaniline
- IUPAC
- 5-(1,3-benzoxazol-2-yl)-2-methoxyaniline
- English name
- 5-Benzooxazol-2-yl-2-methoxy-phenylamine
- Molecular formula
- C14H12N2O2
- Molecular weight
- 240.26
Names & synonyms
378222-48-15-(1,3-benzoxazol-2-yl)-2-methoxyaniline5-Benzooxazol-2-yl-2-methoxy-phenylamine5-(benzo[d]oxazol-2-yl)-2-methoxyanilineMFCD00298038ZINC154610[5-(1,3-Benzoxazol-2-yl)-2-methoxyphenyl]amine5-benzoxazol-2-yl-2-methoxyphenylamine5-(1,3-Benzoxazol-2-yl)-2-methoxy anilineZINC001546102-(3-Amino-4-methoxyphenyl)-benzoxazoleOprea1_020673
Show more names
AKOS BB-8511ASISCHEM T30922ART-CHEM-BB B025533TIMTEC-BB SBB007325Benzenamine, 5-(2-benzoxazolyl)-2-methoxy-
Oprea1_554296SCHEMBL759091AKUUHWRDNLCHCT-UHFFFAOYSA-NCOc1ccc(cc1N)c1nc2c(o1)cccc2HMS1693F08ALBB-0277405(benzo(d)oxazol2yl)2methoxyanilineBBL000199
Database identifiers
- CAS
378222-48-1- PubChem CID
- 735944
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Boiling point
- 396.8 · 396.8±32.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- pka
- 3.67 · 3.67±0.10(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
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Related reactions
2 records
Compound notes
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