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3,4-Dimethyldiphenylamine

CAT: 0127-OR350141-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR350141-01Size:5 g
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CAS Number
17802-36-7
MDL Number
MFCD03093248
Purity
98%
Smiles
Cc1ccc(Nc2ccccc2)cc1C

Chemical Information

3,4-Dimethyldiphenylamine
CAS Number17802-36-7
PubChem CID14958605
IUPAC Name3,4-dimethyl-N-phenylaniline
Molecular FormulaC14H15N
Molecular Weight197.27
XLogP4.7
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity184
SMILES
CC1=C(C=C(C=C1)NC2=CC=CC=C2)C
InChI
InChI=1S/C14H15N/c1-11-8-9-14(10-12(11)2)15-13-6-4-3-5-7-13/h3-10,15H,1-2H3
InChIKey
ACWJKFBBRPYPLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dimethyldiphenylamine
CAS: 17802-36-7
CID: 14958605
Formula: C14H15N
MW: 197.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.27
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass197.120449483
Monoisotopic Mass197.120449483
Topological Polar Surface Area12 Ų
Heavy Atom Count15
Formal Charge0
Complexity184
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

CatalogName
sc-4854493,4-Dimethyldiphenylamine
17802-36-73, 4-Dimethyldiphenylamine
TRC-D456925-50G4,4'-Dimethyldiphenylamine
sc-4860082,4-Dimethyldiphenylamine
626-13-13,3'-Dimethyldiphenylamine
233589-014,4'-Dimethyldiphenylamine 99+% (HPLC)
B810001Butyric Anhydride-3,3,3',3',4,4,4,4',4',4'-d10
TRC-P227543-50MG3,3,4,4,4-Pentafluorobutylamine
TRC-H591362-2.5MGL-Homocystine-3,3,3’,3’,4,4,4’,4’-d8
163932DL-Homocystine-3,3,3’,3’,4,4,4’,4’-d8

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