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2,3-Diphenylpropan-1-amine

CAT: 0926-FAA41580-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FAA41580-01Size:50 mg
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CAS Number
5415-80-5
MDL Number
MFCD09884817
Smiles
C1=CC=C (C=C1) CC (CN) C2=CC=CC=C2
Molecular Formula
C15H17N
Molecular Weight
211.3 g/mol
Controlled
No

Chemical Information

2,3-Diphenylpropylamine
CAS Number5415-80-5
PubChem CID38619
IUPAC Name2,3-diphenylpropan-1-amine
Molecular FormulaC15H17N
Molecular Weight211.30
XLogP3
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity178
SMILES
C1=CC=C(C=C1)CC(CN)C2=CC=CC=C2
InChI
InChI=1S/C15H17N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15H,11-12,16H2
InChIKey
RHRYWWVGUVEZRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Diphenylpropylamine
CAS: 5415-80-5
CID: 38619
Formula: C15H17N
MW: 211.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight211.30
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass211.136099547
Monoisotopic Mass211.136099547
Topological Polar Surface Area26 Ų
Heavy Atom Count16
Formal Charge0
Complexity178
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes