Basic information
- CAS
54995-53-8- Standard SMILES
COc1ccc(-c2nc3cc(N)ccc3o2)cc1- InChIKey
CZSVPGARXVXXOX-UHFFFAOYSA-N- Molecular formula
- C14H12N2O2
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.08987763
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-1,3-benzoxazol-5-amine
- IUPAC
- 2-(4-methoxyphenyl)-1,3-benzoxazol-5-amine
- English name
- 2-(4-Methoxy-phenyl)-benzooxazol-5-ylamine
- Molecular formula
- C14H12N2O2
- Molecular weight
- 240.26
Names & synonyms
2-(4-methoxyphenyl)-1,3-benzoxazol-5-amine54995-53-8DTXSID00352899RefChem:252490DTXCID603039632-(4-methoxyphenyl)benzo[d]oxazol-5-amineMFCD009918315-Benzoxazolamine, 2-(4-methoxyphenyl)-Oprea1_142043Oprea1_525166SCHEMBL2244512CHEMBL4782626
Show more names
AKOS BB-8051ASISCHEM T31041TIMTEC-BB SBB007306ART-CHEM-BB B025128LABOTEST-BB LT001338972-(4-Methoxy-phenyl)-benzooxazol-5-ylamine[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]amine2-(4-methoxyphenyl)-1,3-benzoxazol-5-amine - [AC80444]
ALBB-026756STK345869AKOS0001083892-(4-methoxyphenyl)-5-aminobenzoxazole2-(4-methoxyphenyl)benzoxazole-5-ylamineLS-09153DB-087355AB00540811
Database identifiers
- CAS
54995-53-8- PubChem CID
- 735992
- DTXSID
DTXSID00352899
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
- 279
Physicochemical properties
- 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
Suppliers5 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
南京圣赛化工有限公司025-85205967 13951876367 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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