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2-Piperidinecarboxamide, 1-Butyl-N-(2,6-Dimethylphenyl)-, Hydrochloride (1:1), (2S)-
CAS: 27262-48-2 | C18H29ClN2O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
27262-48-2
Molecular Formula:
C18H29ClN2O
Molecular Mass:
324.90 g/mol
Names and Synonyms:
2-Piperidinecarboxamide, 1-Butyl-N-(2,6-Dimethylphenyl)-, Hydrochloride (1:1), (2S)-
2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, hydrochloride (1:1), (2S)-
2′,6′-Pipecoloxylidide, 1-butyl-, monohydrochloride, (-)-
2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride, (S)-
2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride, (2S)-
(-)-Bupivacaine monohydrochloride
(S)-(-)-Bupivacaine monohydrochloride
Chirocaine
Levobupivacaine hydrochloride
Popscaine
Identifiers:
SMILES:
CCCCN1CCCC[C@H]1C(O)=Nc1c(C)cccc1C.Cl
InChI:
InChI=1S/C18H28N2O.ClH/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);1H/t16-;/m0./s1
Key Properties
Melting Point
261.4 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 324.90 g/mol | CAS Common Chemistry |
| 324.896 g/mol | RDKit | |
| 324.196841228 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(NC=1C(=CC=CC1C)C)C2N(CCCC)CCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C18H28N2O.ClH/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);1H/t16-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SIEYLFHKZGLBNX-NTISSMGPSA-N | CAS Common Chemistry |
| Melting Point | 261.4 °C | CAS Common Chemistry |
| Name | 2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, hydrochloride (1:1), (2S)- | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.83 Ų | RDKit |
| LogP | 4.967840000000005 | RDKit |
| Molar Refractivity | 97.00780000000006 | RDKit |
