N-Desmethyldoxylamine

CAT: 0926-DDA86803Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-DDA86803Size:50 mg

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CAS Number

78868-03-8

Smiles

CC (C1=CC=CC=C1) (C2=CC=CC=N2) OCCNC

Molecular Formula

C16H20N2O

Molecular Weight

256.34 g/mol

Controlled

Chemical Information

N-Desmethyldoxylamine

CAS Number	78868-03-8
PubChem CID	135338
IUPAC Name	N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
Molecular Formula	C16H20N2O
Molecular Weight	256.34
XLogP	2
Topological Polar Surface Area	34.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	19
Formal Charge	0
Complexity	253

SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCNC

InChI

InChI=1S/C16H20N2O/c1-16(19-13-12-17-2,14-8-4-3-5-9-14)15-10-6-7-11-18-15/h3-11,17H,12-13H2,1-2H3

InChIKey

VCONERXBEFNHJS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 78868-03-8

CID: 135338

Formula: C16H20N2O

MW: 256.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.34
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	256.157563266
Monoisotopic Mass	256.157563266
Topological Polar Surface Area	34.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	253
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OH153454-01	N, N', N'', N''', N'''', N''''', N''''''-Heptaacetylchitoheptaose
FH171463-01	N, N, N', N', N'', N''-Hexamethoxymethylmelamine
OH07433-01	N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
FT54997-01	N, N, N', N'-Tetraacetylethylenediamine
AAA15077-01	N, N, N', N'-Tetraethylethylenediamine
TFA35643-01	N, N, N', N'-Tetrapropylmalonamide
FE75418-01	N, N, N', N'-Ethylenediaminetetrakis
MDA89862-01	N, N, N', N'-Tetrabenzylpropanediamide
FT00547-01	N, N, N', N'-Tetramethylenediamine
OT04211-01	N, N', N'', N'''-Tetraacetylchitotetraose

Catalog	Name
458863-01	N-Desmethyldoxylamine
297193-01	N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
TRC-H290750-10MG	N,N’,N’’,N’’’,N’’’’,N’’’’’-Hexaacetylchitohexaose
OR9122-01	N, N, N', N', N'', N''-Hexamethylmethanetriamine
OR22662	N, N, N, N, N, N-hexaethylphosphinetricarboxamide
AR-O01213-01	N, N’, N’’, N’’’, N’’’’, N’’’’’-Hexaacetylchitohexaose
sc-255378	N, N, N', N'', N''-Pentamethyldiethylenetriamine
TRC-P225000-100MG	N,N’,N’’,N’’’,N’’’’-Pentaacetylchitopentaose
OR1077740	N, N', N'', N''', N''''-Pentaacetylchitopentaose
460126-01	N, N', N'', N'''Tetraacetylglycoluril