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M-Toluidine

CAT: 0024-sc-250270ASize: 100 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-250270ASize:100 mL
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CAS Number
108-44-1

Chemical Information

m-Toluidine

M-toluidine is an aminotoluene in which the amino substituent is meta to the methyl group.

CAS Number108-44-1
PubChem CID7934
IUPAC Name3-methylaniline
Molecular FormulaC7H9N
Molecular Weight107.15
XLogP1.4
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity70
SMILES
CC1=CC(=CC=C1)N
InChI
InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3
InChIKey
JJYPMNFTHPTTDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-Toluidine
CAS: 108-44-1
CID: 7934
Formula: C7H9N
MW: 107.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight107.15
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass107.073499291
Monoisotopic Mass107.073499291
Topological Polar Surface Area26 Ų
Heavy Atom Count8
Formal Charge0
Complexity70.8
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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