N-Nitrosophenylephrine-D3

CAT: 0926-FN184028-03Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-FN184028-03Size:5 mg

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CAS Number

137886-42-1

Molecular Formula

C9D3H9N2O3

Molecular Weight

199.22 g/mol

Controlled

Chemical Information

N-(2-hydroxy-2-(3-hydroxyphenyl)ethyl)-N-methylnitrous amide

CAS Number	137886-42-1
PubChem CID	176472923
IUPAC Name	N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylnitrous amide
Molecular Formula	C9H12N2O3
Molecular Weight	196.20
XLogP	0.7
Topological Polar Surface Area	73.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	189

SMILES

CN(CC(C1=CC(=CC=C1)O)O)N=O

InChI

InChI=1S/C9H12N2O3/c1-11(10-14)6-9(13)7-3-2-4-8(12)5-7/h2-5,9,12-13H,6H2,1H3

InChIKey

JKVBNSISJSOSBA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 137886-42-1

CID: 176472923

Formula: C9H12N2O3

MW: 196.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.20
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	196.08479225
Monoisotopic Mass	196.08479225
Topological Polar Surface Area	73.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	189
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

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Catalog	Name
TRC-N199320-10MG	N-Nitrosophenylephrine-D3
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