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2-Methoxy-4-nitro-5-methylaniline

CAT: 0572-TRC-M265370-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M265370-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
134-19-0
Synonyms
2-Methoxy-5-methyl-4-nitrobenzenamine; 5-Methyl-4-nitro-o-anisidine; 2-Methoxy-5-methyl-4-nitroaniline; 3-Amino-4-methoxy-6-nitrotoluene; 4-Nitro-p-cresidine; 5-Amino-4-methoxy-2-nitrotoluene; 5-Methyl-4-nitro-o-anisidine; 6-Nitro-4-methoxy-3-aminotoluene; NSC 50663
Hazard Statement
No Data Available
Smiles
COc1cc(c(C)cc1N)[N+](=O)[O-]
Molecular Formula
C8H10N2O3
Molecular Weight
182.18
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Methoxy-5-methyl-4-nitrobenzenamine

impurity in color additive FD&C Red No. 40; structure given in first source

CAS Number134-19-0
PubChem CID67253
IUPAC Name2-methoxy-5-methyl-4-nitroaniline
Molecular FormulaC8H10N2O3
Molecular Weight182.18
XLogP1.4
Topological Polar Surface Area81.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity192
SMILES
CC1=CC(=C(C=C1[N+](=O)[O-])OC)N
InChI
InChI=1S/C8H10N2O3/c1-5-3-6(9)8(13-2)4-7(5)10(11)12/h3-4H,9H2,1-2H3
InChIKey
VXUMJWGCPAUKTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxy-5-methyl-4-nitrobenzenamine
CAS: 134-19-0
CID: 67253
Formula: C8H10N2O3
MW: 182.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.18
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass182.06914219
Monoisotopic Mass182.06914219
Topological Polar Surface Area81.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity192
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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Alternative Products

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sc-4830382-Methoxy-4-nitro-5-methylaniline
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sc-233387E5-Methoxy-2-methylaniline
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OR909849-015-Chloro-4-methoxy-2-methylaniline
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