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2-Amino-4-methylphenol

CAT: 0572-TRC-A898145-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A898145-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
95-84-1
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
Cc1ccc(O)c(N)c1
Molecular Formula
C7H9NO
Molecular Weight
123.15
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Amino-4-methylphenol

2-amino-4-methylphenol is a hydroxytoluene that is phenol substituted by amino and methyl groups at positions 2 and 4, respectively. It is a metabolite of disperse yellow 3. It has a role as a sensitiser and a xenobiotic metabolite. It is a hydroxytoluene and a substituted aniline.

CAS Number95-84-1
PubChem CID7264
IUPAC Name2-amino-4-methylphenol
Molecular FormulaC7H9NO
Molecular Weight123.15
XLogP1.2
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity94
SMILES
CC1=CC(=C(C=C1)O)N
InChI
InChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3
InChIKey
ZMXYNJXDULEQCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-4-methylphenol
CAS: 95-84-1
CID: 7264
Formula: C7H9NO
MW: 123.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight123.15
XLogP31.2
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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