Basic information
- CAS
116248-11-4- Standard SMILES
CN(C)c1ccc(-c2nc3cc(N)ccc3o2)cc1- InChIKey
TZIJEHNHNLJSSH-UHFFFAOYSA-N- Molecular formula
- C15H15N3O
- Average molar mass
- 253.3 g/mol
- Monoisotopic mass
- 253.12151211
Names & identifiers
- Preferred name
- 2-(4-Dimethylamino-phenyl)-benzooxazol-5-ylamine
- IUPAC
- 2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-amine
- English name
- 2-(4-Dimethylamino-phenyl)-benzooxazol-5-ylamine
- Molecular formula
- C15H15N3O
- Molecular weight
- 253.3
Names & synonyms
116248-11-42-(4-Dimethylamino-phenyl)-benzooxazol-5-ylamineDTXSID50352900RefChem:252287DTXCID203039642-(4-(dimethylamino)phenyl)benzo[d]oxazol-5-amine2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-amineCHEMBL2343782-(4-dimethylaminophenyl)benzooxazol-5-ylamineChemDiv2_000117Oprea1_252425Oprea1_778263
Show more names
LABOTEST-BB LT001339072-(4-DIMETHYLAMINOPHENYL)BENZOXAZOL-5-YLAMINE5-Benzoxazolamine, 2-[4-(dimethylamino)phenyl]-
MLS001204543SCHEMBL2242269HMS1369F07HMS2830L05BDBM50546261AKOS000289043CCG-103884SMR000513970
Database identifiers
- CAS
116248-11-4- PubChem CID
- 735993
- DTXSID
DTXSID50352900- ChEMBL
CHEMBL234378- Nikkaji
- J358.202G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 302
Experimental & physicochemical properties
Solubility14 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 423.7 · 423.7±25.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 7.56 · 7.56±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
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
- Symbol(GHS)
- GHS07
Chemistry & industry
Suppliers4 total
武汉凯威斯科技有限公司86-027-67849912 · [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]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…