N-Nitroso Methylphenidate

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CAT#:1596-AR-M03255-05Size:150

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CAS Number

55557-03-4

Synonyms

Methyl (R) -2- ((R) -1-nitrosopiperidin-2-yl) -2-phenylacetate

Molecular Formula

C14H18N2O3

Molecular Weight

262.3

API Name

Methylphenidate

Chemical Information

N-Nitrosomethylphenidate

CAS Number	55557-03-4
PubChem CID	41474
IUPAC Name	methyl 2-(1-nitrosopiperidin-2-yl)-2-phenylacetate
Molecular Formula	C14H18N2O3
Molecular Weight	262.30
XLogP	2.6
Topological Polar Surface Area	59
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	316

SMILES

COC(=O)C(C1CCCCN1N=O)C2=CC=CC=C2

InChI

InChI=1S/C14H18N2O3/c1-19-14(17)13(11-7-3-2-4-8-11)12-9-5-6-10-16(12)15-18/h2-4,7-8,12-13H,5-6,9-10H2,1H3

InChIKey

QGSDAATWYASQKL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55557-03-4

CID: 41474

Formula: C14H18N2O3

MW: 262.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.30
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	262.13174244
Monoisotopic Mass	262.13174244
Topological Polar Surface Area	59 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	316
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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Catalog	Name
CS-O-39117	N-nitroso Methylphenidate
CS-EO-04085	N-Nitroso Methylphenidate D5
CS-O-41376	N-Nitroso Methylphenidate EP Impurity A
CS-O-39117-1.5ML	N-nitroso-methylphenidate-100 PPM in Acetonitrile
CS-T-104111	Rac-erythro N-Nitroso Methylphenidate-d10
CS-T-104110	Rac-threo N-Nitroso Methylphenidate-d10
RM-M052320-01	Methylphenidate Hydrochloride Nitroso Impurity 20
CS-O-45703	N-Hydroxy methylphenidate
TRC-M330470-100MG	Methylphenidate N-Oxide
471115	Methylphenidate