2-(4-Methylphenyl)-1,3-benzoxazol-5-amine
Basic information
- CAS
54995-50-5- Standard SMILES
Cc1ccc(-c2nc3cc(N)ccc3o2)cc1- InChIKey
HSZLOKDLSZAZCH-UHFFFAOYSA-N- Molecular formula
- C14H12N2O
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.09496301
Names & identifiers
- Preferred name
- 2-(4-Methylphenyl)-1,3-benzoxazol-5-amine
- IUPAC
- 2-(4-methylphenyl)-1,3-benzoxazol-5-amine
- English name
- 2-p-Tolyl-benzooxazol-5-ylamine
- Molecular formula
- C14H12N2O
- Molecular weight
- 224.26
Names & synonyms
2-(4-methylphenyl)-1,3-benzoxazol-5-amine54995-50-55-Benzoxazolamine, 2-(4-methylphenyl)-DTXSID70352260RefChem:252645DTXCID40303325HSZLOKDLSZAZCH-UHFFFAOYSA-N2-p-tolylbenzooxazol-5-ylamineMLS0001059702-(p-tolyl)benzo[d]oxazol-5-amine2-p-Tolylbenzo[d]oxazol-5-amineMFCD00477461
Show more names
AKOS BB239AKOS BB-8037ASISCHEM T31038TIMTEC-BB SBB000637ART-CHEM-BB B025115LABOTEST-BB LT001338982-P-TOLYLBENZOXAZOL-5-YLAMINE
2-(p-Tolyl)-1,3-benzoxazol-5-amineSMR0001029442-p-Tolyl-benzooxazol-5-ylamine2-(4-methylphenyl)benzoxazole-5-ylamineregid7976139Oprea1_121511Oprea1_527082cid_721879
Database identifiers
- CAS
54995-50-5- PubChem CID
- 721879
- DTXSID
DTXSID70352260- ChEMBL
CHEMBL1418018
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
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
- risk_code
- 36
- safety_code
- 26
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
9 records
Compound notes
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