N-Benzyl-2-benzoxazolamine
Basic information
- CAS
21326-87-4- Standard SMILES
c1ccc(CNc2nc3ccccc3o2)cc1- InChIKey
XHBVYWCWOQDQJP-UHFFFAOYSA-N- Molecular formula
- C14H12N2O
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.09496301
Names & identifiers
- Preferred name
- N-Benzyl-2-benzoxazolamine
- IUPAC
- N-benzyl-1,3-benzoxazol-2-amine
- English name
- N-Benzyl-2-benzoxazolamine
- Molecular formula
- C14H12N2O
- Molecular weight
- 224.26
Names & synonyms
N-Benzyl-2-benzoxazolamineN-Benzyl-1,3-benzoxazol-2-amine21326-87-4N-benzylbenzo[d]oxazol-2-amineCHEMBL576254Benzoxazole, 2-(benzylamino)-2-BenzyliminobenzoxazolineSCHEMBL1853315SCHEMBL2676462DTXSID10340308XHBVYWCWOQDQJP-UHFFFAOYSA-NBDBM50301891
Show more names
N-Benzyl-1,3-benzoxazol-2-amine #2-Benzoxazolamine, N-(phenylmethyl)-AKOS009106701HS-7488
Database identifiers
- CAS
21326-87-4- PubChem CID
- 563453
- DTXSID
DTXSID10340308- ChEMBL
CHEMBL576254- Nikkaji
- J104.574A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 122 · 122-124 °C
- Boiling point
- 379 · 379.0±35.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- pka
- 2.48 · 2.48±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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