Home Amines 100445-96-3
100445-96-3,MFCD14706041
Catalog No.:AA0001XH
100445-96-3 | 3-Amino-2,4-dimethylphenol
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Technical Information
Catalog Number:
AA0001XH
Chemical Name:
3-Amino-2,4-dimethylphenol
CAS Number:
100445-96-3
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD14706041
IUPAC Name:
3-amino-2,4-dimethylphenol
InChI:
InChI=1S/C8H11NO/c1-5-3-4-7(10)6(2)8(5)9/h3-4,10H,9H2,1-2H3
InChI Key:
OENOTFKJTIJFDN-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1C)N)C
Properties
Computed Properties
 
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
3-Amino-2,4-dimethylphenol 
100445-96-3 
CTK0E0183 
DTXSID50556345 
OENOTFKJTIJFDN-UHFFFAOYSA-N 
MFCD14706041 
ZINC34235260 
AKOS006340369 
MCULE-6211772088 
NE44176 
FT-0662102 
J-000136 
3-Amino-2,4-xylenol 
Z1741785917 
Phenol, 3-amino-2,4-dimethyl- 
3-Hydroxy-2,6-xylidine 
Dimethyl-m-aminophenol 
ACMC-20m3hl 
3-Amino-2,4-dimethyl-phenol 
2,6-Dimethyl-3-hydroxyaniline 
SCHEMBL1233639 
Literature
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