Bupivacaine Impurity
- Iupac Name：(2S)-2,5-diamino-5-oxopentanoic acid
- CAS No.: 56-85-9
- Molecular Weight：146.1445
- Modify Date.: 2022-04-18 03:19
1. Names and Identifiers
- 1.1 Name
- Bupivacaine Impurity
- 1.2 Synonyms
Bupivacaine Impurity 12 Bupivacaine Impurity 4 Bupivacaine impurity 6/N-(2,6-dimethylphenyl)-1-[(1R)-1-methylpropyl]-(2S)-2-Piperidinecarboxamide Bupivacaine-001-SR
- 1.3 CAS No.
- 56-85-9
- 1.4 CID
- 5961
- 1.5 Molecular Formula
- C48H73N11O13S (isomer)
- 1.6 Inchi
- InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
- 1.7 InChkey
- ZDXPYRJPNDTMRX-VKHMYHEASA-N
- 1.8 Canonical Smiles
- C(CC(=O)N)C(C(=O)O)N
- 1.9 Isomers Smiles
- C(CC(=O)N)[C@@H](C(=O)O)N
2. Properties
- 3.1 Melting point
- 185℃
- 3.1 Boiling point
- 970.9±65.0 °C(Predicted)
- 3.1 Refractive index
- 6.8 ° (C=4, H2O)
- 3.1 Vapour pressure
- 1.9X10-8 mm Hg at 25 °C (est)
- 3.1 Precise Quality
- 146.06900
- 3.1 PSA
- 106.41000
- 3.1 logP
- 0.06440
3. Safety and Handling
- 4.1 Risk Statements
- R36
- 4.1 Safety Statements
- S24/25
- 4.1 RIDADR
- NONH for all modes of transport
- 4.1 WGK Germany
- 2
- 4.1 RTECS
- MA2275100
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | No symbol. |
| Signal word | No signal word. |
| Hazard statement(s) | none |
| Precautionary statement(s) | |
| Prevention | none |
| Response | none |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
5. Computational chemical data
- Molecular Weight: 146.1445g/mol
- Molecular Formula: C48H73N11O13S
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 146.06914219
- Monoisotopic Mass: 146.06914219
- Complexity: 146
- Rotatable Bond Count: 4
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 106
- Heavy Atom Count: 10
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBjMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQACABAAgAIAAGQGAAAAAAAAAAAAIGAAAACABIAgAAAQAAEEAAAAACcFwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Question & Answer
-
What is L-glutamine? L-glutamine, or just glutamine, is an amino acid. Amino acids are nutrients that help synthesize protein in the human body for nutrition. They can be found in protein-rich foods, including those from both plants and animals. Protein, in turn, is a necessary nutrient for good he...
8. Realated Product Infomation
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