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2,4-Diaminoanisole

CAT: 0013-GTR19239802-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239802-01Size:1 mg
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Description
2,4-Diaminoanisole is a primary aromatic amine identified as a research chemical with carcinogenic properties. It is utilized in toxicology studies to investigate mechanisms of chemical carcinogenesis in both in vitro and in vivo experimental models.
CAS Number
615-05-4
Smiles
O (C1=CC=C (N) C=C1N) C
Molecular Formula
C7H10N2O
Molecular Weight
138.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,4-Diaminoanisole

2,4-Diaminoanisole can cause cancer according to state or federal government labeling requirements.

CAS Number615-05-4
PubChem CID11976
IUPAC Name4-methoxybenzene-1,3-diamine
Molecular FormulaC7H10N2O
Molecular Weight138.17
XLogP0.5
Topological Polar Surface Area61.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity108
SMILES
COC1=C(C=C(C=C1)N)N
InChI
InChI=1S/C7H10N2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,8-9H2,1H3
InChIKey
BAHPQISAXRFLCL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Diaminoanisole
CAS: 615-05-4
CID: 11976
Formula: C7H10N2O
MW: 138.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.17
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass138.079312947
Monoisotopic Mass138.079312947
Topological Polar Surface Area61.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity108
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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