N-Acetylphenylephrine

CAT: 0926-ICA95280-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-ICA95280-02Size:25 mg

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CAS Number

58952-80-0

MDL Number

MFCD01670865

Smiles

CC1=C2C (=CC=C1) NN=C (C2=O) C (=O) O

Molecular Formula

C11H15NO3

Molecular Weight

209.24 g/mol

Controlled

Chemical Information

N-Acetylphenylephrine

CAS Number	58952-80-0
PubChem CID	3042015
IUPAC Name	N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide
Molecular Formula	C11H15NO3
Molecular Weight	209.24
XLogP	0.2
Topological Polar Surface Area	60.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	220

SMILES

CC(=O)N(C)C[C@@H](C1=CC(=CC=C1)O)O

InChI

InChI=1S/C11H15NO3/c1-8(13)12(2)7-11(15)9-4-3-5-10(14)6-9/h3-6,11,14-15H,7H2,1-2H3/t11-/m0/s1

InChIKey

OSJFSDYUAXAPLF-NSHDSACASA-N

Chemical Structure

2D Structure

CAS: 58952-80-0

CID: 3042015

Formula: C11H15NO3

MW: 209.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.24
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	209.10519334
Monoisotopic Mass	209.10519334
Topological Polar Surface Area	60.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	220
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
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
MDA89862-01	N, N, N', N'-Tetrabenzylpropanediamide
FE75418-01	N, N, N', N'-Ethylenediaminetetrakis
FT54997-01	N, N, N', N'-Tetraacetylethylenediamine
AAA15077-01	N, N, N', N'-Tetraethylethylenediamine
TFA35643-01	N, N, N', N'-Tetrapropylmalonamide
NAA43987-01	N, N, N', N'-Tetraethylguanidine
FT00547-01	N, N, N', N'-Tetramethylenediamine

Catalog	Name
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
460011-01	N, N, N', N'-Tetrabutylmalonamide