4-(5-Methylbenzoxazol-2-yl)phenylamine - CAS 22501-77-5
Catalog: |
BB048487 |
Product Name: |
4-(5-Methylbenzoxazol-2-yl)phenylamine |
CAS: |
22501-77-5 |
Synonyms: |
4-(5-Methyl-benzooxazol-2-yl)-phenylamine; 4-(5-methylbenzo[d]oxazol-2-yl)aniline; 4-(5-methyl-1,3-benzoxazol-2-yl)phenylamine |
IUPAC Name: | 4-(5-methyl-1,3-benzoxazol-2-yl)aniline |
Description: | 4-(5-Methylbenzoxazol-2-yl)phenylamine (CAS# 22501-77-5 ) is a useful research chemical. |
Molecular Weight: | 224.26 |
Molecular Formula: | C14H12N2O |
Canonical SMILES: | CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)N |
InChI: | InChI=1S/C14H12N2O/c1-9-2-7-13-12(8-9)16-14(17-13)10-3-5-11(15)6-4-10/h2-8H,15H2,1H3 |
InChI Key: | TZIKYKSWQZSLOO-UHFFFAOYSA-N |
Boiling Point: | 376.8±25.0 °C (Predicted) |
Melting Point: | 188-189.5 °C |
Purity: | ≥ 95 % |
Density: | 1.222±0.06 g/cm3 (Predicted) |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.094963011 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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