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3-Hydroxy Ropivacaine

CAT: 0572-TRC-H953420-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H953420-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
163589-30-8
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CCCN1CCCC[C@H]1C(=O)Nc2c(C)ccc(O)c2C
Molecular Formula
C17H26N2O2
Molecular Weight
290.4
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3'-Hydroxyropivacaine

3'-Hydroxyropivacaine is an amino acid amide.

CAS Number163589-30-8
PubChem CID24892799
IUPAC Name(2S)-N-(3-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
Complexity348
SMILES
CCCN1CCCC[C@H]1C(=O)NC2=C(C=CC(=C2C)O)C
InChI
InChI=1S/C17H26N2O2/c1-4-10-19-11-6-5-7-14(19)17(21)18-16-12(2)8-9-15(20)13(16)3/h8-9,14,20H,4-7,10-11H2,1-3H3,(H,18,21)/t14-/m0/s1
InChIKey
IXOVDWXTIIYVOJ-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of 3'-Hydroxyropivacaine
CAS: 163589-30-8
CID: 24892799
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
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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