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91339-74-1 | 2-Amino-4-(tert-pentyl)phenol
CAS No: 91339-74-1 Catalog No: AG003GFZ MDL No:MFCD00025183
Product Description
Catalog Number:
AG003GFZ
Chemical Name:
2-Amino-4-(tert-pentyl)phenol
CAS Number:
91339-74-1
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
MDL Number:
MFCD00025183
IUPAC Name:
2-amino-4-(2-methylbutan-2-yl)phenol
InChI:
InChI=1S/C11H17NO/c1-4-11(2,3)8-5-6-10(13)9(12)7-8/h5-7,13H,4,12H2,1-3H3
InChI Key:
APOFDNKYFPDSLE-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1)N)O)(C)C
NSC Number:
315545
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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