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887579-79-5 | Benzenamine,3-[3-(1,1-dimethylethyl)phenoxy]-
CAS No: 887579-79-5 Catalog No: AG004CEI MDL No:
Product Description
Catalog Number:
AG004CEI
Chemical Name:
Benzenamine,3-[3-(1,1-dimethylethyl)phenoxy]-
CAS Number:
887579-79-5
Molecular Formula:
C16H19NO
Molecular Weight:
241.3282
IUPAC Name:
3-(3-tert-butylphenoxy)aniline
InChI:
InChI=1S/C16H19NO/c1-16(2,3)12-6-4-8-14(10-12)18-15-9-5-7-13(17)11-15/h4-11H,17H2,1-3H3
InChI Key:
IRDTVVQCDYVOTR-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Oc1cccc(c1)C(C)(C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.334g/mol
Monoisotopic Mass:
241.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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