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3-Methoxy-4-methylaniline

CAT: 0572-TRC-M332410-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M332410-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16452-01-0
Hazard Statement
Harmful in contact with skin.
Purity
>95% (HPLC)
Smiles
COc1cc(N)ccc1C
Molecular Formula
C8 H11 N O
Molecular Weight
137.179
InChI
InChI=1S/C8H11NO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,9H2,1-2H3
Additionnal Information
IUPAC name: 3-methoxy-4-methyl-aniline
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-Methoxy-4-methylaniline

O-cresidine is a brown chunky solid. (NTP, 1992)

CAS Number16452-01-0
PubChem CID27882
IUPAC Name3-methoxy-4-methylaniline
Molecular FormulaC8H11NO
Molecular Weight137.18
XLogP2.1
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity105
SMILES
CC1=C(C=C(C=C1)N)OC
InChI
InChI=1S/C8H11NO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,9H2,1-2H3
InChIKey
ONADZNBSLRAJFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxy-4-methylaniline
CAS: 16452-01-0
CID: 27882
Formula: C8H11NO
MW: 137.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.18
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass137.084063974
Monoisotopic Mass137.084063974
Topological Polar Surface Area35.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity105
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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