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3,3'-Dimethylnaphthidine

CAT: 0024-sc-238639Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-238639Size:1 g
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CAS Number
13138-48-2

Chemical Information

3,3'-Dimethyl(1,1'-binaphthalene)-4,4'-diamine
CAS Number13138-48-2
PubChem CID83166
IUPAC Name4-(4-amino-3-methylnaphthalen-1-yl)-2-methylnaphthalen-1-amine
Molecular FormulaC22H20N2
Molecular Weight312.4
XLogP5.4
Topological Polar Surface Area52
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity396
SMILES
CC1=C(C2=CC=CC=C2C(=C1)C3=CC(=C(C4=CC=CC=C43)N)C)N
InChI
InChI=1S/C22H20N2/c1-13-11-19(15-7-3-5-9-17(15)21(13)23)20-12-14(2)22(24)18-10-6-4-8-16(18)20/h3-12H,23-24H2,1-2H3
InChIKey
FTEGMIZQLGXBNA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3'-Dimethyl(1,1'-binaphthalene)-4,4'-diamine
CAS: 13138-48-2
CID: 83166
Formula: C22H20N2
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass312.162648646
Monoisotopic Mass312.162648646
Topological Polar Surface Area52 Ų
Heavy Atom Count24
Formal Charge0
Complexity396
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