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3-Nitro Ropivacaine

CAT: 0572-TRC-N520280-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N520280-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
247061-07-0
Synonyms
(2S)-N-(2,6-Dimethyl-3-nitrophenyl)-1-propyl-2-piperidinecarboxamide
Hazard Statement
Harmful if swallowed
Smiles
CCCN1CCCC[C@H]1C(=O)Nc2c(C)ccc(c2C)[N+](=O)[O-]
Molecular Formula
C17H25N3O3
Molecular Weight
319.4
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Nitro Ropivacaine
CAS Number247061-07-0
PubChem CID71751111
IUPAC Name(2S)-N-(2,6-dimethyl-3-nitrophenyl)-1-propylpiperidine-2-carboxamide
Molecular FormulaC17H25N3O3
Molecular Weight319.4
XLogP2.7
Topological Polar Surface Area78.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity424
SMILES
CCCN1CCCC[C@H]1C(=O)NC2=C(C=CC(=C2C)[N+](=O)[O-])C
InChI
InChI=1S/C17H25N3O3/c1-4-10-19-11-6-5-7-15(19)17(21)18-16-12(2)8-9-14(13(16)3)20(22)23/h8-9,15H,4-7,10-11H2,1-3H3,(H,18,21)/t15-/m0/s1
InChIKey
KRANSHYISPICMC-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of 3-Nitro Ropivacaine
CAS: 247061-07-0
CID: 71751111
Formula: C17H25N3O3
MW: 319.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass319.18959167
Monoisotopic Mass319.18959167
Topological Polar Surface Area78.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity424
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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