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2,6-Dimethylaniline Hydrochloride

CAT: 0013-GTR19239373Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239373Size:200 mg
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Description
2,6-Dimethylaniline hydrochloride (CAS 21436-98-6) is a research chemical employed in life sciences. It serves as a key synthetic intermediate or building block in the development of compounds for pharmacological and biochemical studies, applicable in both in vitro and in vivo experimental models.
CAS Number
21436-98-6
Product Name Alternative
CompoundAR0033QU
Field of Research
Metabolism Research
Purity
99.80% (May vary between batches)
Smiles
Cl.Cc1cccc (C) c1N
Molecular Formula
C8H12ClN
Molecular Weight
157.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Benzenamine, 2,6-dimethyl-, hydrochloride (1:1)
CAS Number21436-98-6
PubChem CID88899
IUPAC Name2,6-dimethylaniline;hydrochloride
Molecular FormulaC8H12ClN
Molecular Weight157.64
Topological Polar Surface Area26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity80
SMILES
CC1=C(C(=CC=C1)C)N.Cl
InChI
InChI=1S/C8H11N.ClH/c1-6-4-3-5-7(2)8(6)9;/h3-5H,9H2,1-2H3;1H
InChIKey
QNWMFJDRMZWZNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenamine, 2,6-dimethyl-, hydrochloride (1:1)
CAS: 21436-98-6
CID: 88899
Formula: C8H12ClN
MW: 157.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.64
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass157.0658271
Monoisotopic Mass157.0658271
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity80.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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