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4-Hydroxy Ropivacaine

CAT: 0572-TRC-H953425-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H953425-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
163589-31-9
Synonyms
(2S)-N-(4-Hydroxy-2,6-dimethylphenyl)-1-propyl-2-piperidinecarboxamide; (-)-4'-Hydroxyropivacaine; 4'-Hydroxyropivacaine;
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
O=C([C@@H]1N(CCC)CCCC1)NC2=C(C)C=C(O)C=C2C
Molecular Formula
C17H26N2O2
Molecular Weight
290.4
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-(4-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
CAS Number163589-31-9
PubChem CID10424332
IUPAC NameN-(4-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
Molecular FormulaC17H26N2O2
Molecular Weight290.4
XLogP2.5
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity336
SMILES
CCCN1CCCCC1C(=O)NC2=C(C=C(C=C2C)O)C
InChI
InChI=1S/C17H26N2O2/c1-4-8-19-9-6-5-7-15(19)17(21)18-16-12(2)10-14(20)11-13(16)3/h10-11,15,20H,4-9H2,1-3H3,(H,18,21)
InChIKey
BWDXZCNWLNJBBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
CAS: 163589-31-9
CID: 10424332
Formula: C17H26N2O2
MW: 290.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.4
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass290.199428076
Monoisotopic Mass290.199428076
Topological Polar Surface Area52.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity336
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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