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2-(Diphenylmethoxy)-N-ethylamine

CAT: 0572-TRC-D491755-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D491755-100MGSize:100 mg
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CAS Number
17349-94-9
Synonyms
2-(Diphenylmethoxy)ethylamine; Dinordiphenhydramine; FAR 9058D; N,N-Didemethyldiphenhydramine; NSC 55993
Hazard Statement
Harmful if swallowed.
Purity
>95% (GC)
Smiles
C1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN
Molecular Formula
C15H17NO
Molecular Weight
227.3
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-(Diphenylmethoxy)ethylamine
CAS Number17349-94-9
PubChem CID36060
IUPAC Name2-benzhydryloxyethanamine
Molecular FormulaC15H17NO
Molecular Weight227.30
XLogP2.3
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity177
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN
InChI
InChI=1S/C15H17NO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2
InChIKey
NFJFUDGBWGXTHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Diphenylmethoxy)ethylamine
CAS: 17349-94-9
CID: 36060
Formula: C15H17NO
MW: 227.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight227.30
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass227.131014166
Monoisotopic Mass227.131014166
Topological Polar Surface Area35.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity177
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