5-Benzoxazolamine, 2-(4-aminophenyl)-


Chemical Name: 5-Benzoxazolamine, 2-(4-aminophenyl)-
CAS Number: 13676-47-6
Product Number: AG0012BM(AGN-PC-0JTTKH)
Synonyms:
MDL No:
Molecular Formula: C13H11N3O
Molecular Weight: 225.2459

Identification/Properties


Computed Properties
Molecular Weight:
225.251g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
225.09g/mol
Monoisotopic Mass:
225.09g/mol
Topological Polar Surface Area:
78.1A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
265
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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