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N-Formyl Pseudoephedrine

CAT: 0572-TRC-F789550-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F789550-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
67844-52-4
Synonyms
Formamide, N-[(1S,2S)-2-hydroxy-1-methyl-2-phenylethyl]-N-methyl-; Formamide, N-(2-hydroxy-1-methyl-2-phenylethyl)-N-methyl-, [S-(R*,R*)]- (9CI); N-[(1S,2S)-2-Hydroxy-1-methyl-2-phenylethyl]-N-methylformamide; (1S,2S)-N-Formylpseudoephedrine
Hazard Statement
Causes skin irritation
Smiles
C[C@@H]([C@@H](O)c1ccccc1)N(C)C=O
Molecular Formula
C11 H15 N O2
Molecular Weight
193.242
InChI
InChI=1S/C11H15NO2/c1-9(12(2)8-13)11(14)10-6-4-3-5-7-10/h3-9,11,14H,1-2H3/t9-,11+/m0/s1
Additionnal Information
IUPAC name: N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylformamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-Formyl Pseudoephedrine
CAS Number67844-52-4
PubChem CID11401291
IUPAC NameN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylformamide
Molecular FormulaC11H15NO2
Molecular Weight193.24
XLogP1
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity178
SMILES
C[C@@H]([C@H](C1=CC=CC=C1)O)N(C)C=O
InChI
InChI=1S/C11H15NO2/c1-9(12(2)8-13)11(14)10-6-4-3-5-7-10/h3-9,11,14H,1-2H3/t9-,11+/m0/s1
InChIKey
RPFBXDFMFZGQFB-GXSJLCMTSA-N
Chemical Structure
2D Structure
2D structure of N-Formyl Pseudoephedrine
CAS: 67844-52-4
CID: 11401291
Formula: C11H15NO2
MW: 193.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.24
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass193.110278721
Monoisotopic Mass193.110278721
Topological Polar Surface Area40.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity178
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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