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Tolnaftate EP Impurity D HCl

CAT: 1596-AR-T02538-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T02538-01Size:10 Units
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CAS Number
17650-11-2
Synonyms
N,3-dimethylaniline hydrochloride
Molecular Formula
C8H11N. HCl
Molecular Weight
121.18 36.46
API Name
Tolnaftate

Chemical Information

N,3-dimethylaniline hydrochloride
CAS Number17650-11-2
PubChem CID17138997
IUPAC NameN,3-dimethylaniline;hydrochloride
Molecular FormulaC8H12ClN
Molecular Weight157.64
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity80
SMILES
CC1=CC(=CC=C1)NC.Cl
InChI
InChI=1S/C8H11N.ClH/c1-7-4-3-5-8(6-7)9-2;/h3-6,9H,1-2H3;1H
InChIKey
JZEFNFPACZTLOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,3-dimethylaniline hydrochloride
CAS: 17650-11-2
CID: 17138997
Formula: C8H12ClN
MW: 157.64
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight157.64
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass157.0658271
Monoisotopic Mass157.0658271
Topological Polar Surface Area12 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