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2-(Diphenylmethoxy)-N-methylethylamine

CAT: 0572-TRC-D491695-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D491695-1GSize:1 g
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CAS Number
17471-10-2
Synonyms
2-(Diphenylmethoxy)-N-methylethanamine, Ethylamine, 2-(diphenylmethoxy)-N-methyl- (7CI,8CI); 2-(Diphenylmethoxy)-N-methylethylamine; FAR 8328V; N-Demethyldiphenhydramine; N-Desmethyldiphenhydramine; Nordiphenhydramine; Dimenhydrinate Imp. F (EP), Diphenhydramine Hydrochloride Imp. A (EP)
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CNCCOC(c1ccccc1)c2ccccc2
Molecular Formula
C16 H19 N O
Molecular Weight
241.33
InChI
InChI=1S/C16H19NO/c1-17-12-13-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
Additionnal Information
IUPAC name: 2-benzhydryloxy-N-methylethanamine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-Desmethyldiphenhydramine

N-Desmethyldiphenhydramine is a diarylmethane.

CAS Number17471-10-2
PubChem CID40791
IUPAC Name2-benzhydryloxy-N-methylethanamine
Molecular FormulaC16H19NO
Molecular Weight241.33
XLogP2.8
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity189
SMILES
CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H19NO/c1-17-12-13-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
InChIKey
AGSLYHYWLYGAOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Desmethyldiphenhydramine
CAS: 17471-10-2
CID: 40791
Formula: C16H19NO
MW: 241.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.33
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass241.146664230
Monoisotopic Mass241.146664230
Topological Polar Surface Area21.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity189
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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