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Di-p-tolylmethanamine

CAT: 0127-OR1006354Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1006354Size:25 mg
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CAS Number
55095-22-2
Purity
95%
Smiles
CC1=CC=C(C=C1)C(C2=CC=C(C)C=C2)N

Chemical Information

Bis(4-methylphenyl)methanamine
CAS Number55095-22-2
PubChem CID2734069
IUPAC Namebis(4-methylphenyl)methanamine
Molecular FormulaC15H17N
Molecular Weight211.30
XLogP3.2
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity175
SMILES
CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)N
InChI
InChI=1S/C15H17N/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10,15H,16H2,1-2H3
InChIKey
KMPMUIHLWYUKCS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis(4-methylphenyl)methanamine
CAS: 55095-22-2
CID: 2734069
Formula: C15H17N
MW: 211.30
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight211.30
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass211.136099547
Monoisotopic Mass211.136099547
Topological Polar Surface Area26 Ų
Heavy Atom Count16
Formal Charge0
Complexity175
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