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4-Amino-m-cresol

CAT: 0013-GTR19224576-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224576-01Size:100 mg
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Description
4-Amino-m-cresol is a bioactive small molecule utilized in biochemical research. It serves as a key intermediate in studies involving oxidative processes and has been referenced in investigations of melanin synthesis pathways in both in vitro and in vivo experimental models.
CAS Number
2835-99-6
Smiles
Cc1cc (O) ccc1N
Molecular Formula
C7H9NO
Molecular Weight
123.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Amino-m-cresol

4-hydroxy-6-methylaniline is a substituted aniline in which the aniline ring carries 4-hydroxy and 6-methyl substituents; a urinary metabolite of lidocaine. It has a role as a drug metabolite. It is a member of phenols and a substituted aniline.

CAS Number2835-99-6
PubChem CID17819
IUPAC Name4-amino-3-methylphenol
Molecular FormulaC7H9NO
Molecular Weight123.15
XLogP0.9
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity94
SMILES
CC1=C(C=CC(=C1)O)N
InChI
InChI=1S/C7H9NO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,8H2,1H3
InChIKey
QGNGOGOOPUYKMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Amino-m-cresol
CAS: 2835-99-6
CID: 17819
Formula: C7H9NO
MW: 123.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight123.15
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass123.068413911
Monoisotopic Mass123.068413911
Topological Polar Surface Area46.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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