Nalpha-Fmoc-Ndelta-trityl-L-glutamine
- Iupac Name：(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(tritylamino)pentanoic acid
- CAS No.: 132327-80-1
- Molecular Weight：610.6977
- Modify Date.: 2022-10-31 05:52
1. Names and Identifiers
- 1.1 Name
- Nalpha-Fmoc-Ndelta-trityl-L-glutamine
- 1.2 Synonyms
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-oxo-5-(tritylamino)pentanoic acid Fmoc-Gln(N-Trt)-OH Fmoc-Gln(Tr)-OH fmoc-Gln(Trt)-OH Fmoc-L-Gln(Trt)-OH L-Glutamine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)- MFCD00077056 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-trityl-L-glutamine N|A-Fmoc-N|A-trityl-L-glutamine N-Fmoc-N5-trityl-L-Glutamine N-Fmoc-N'-trityl-L-glutamine
- 1.3 CAS No.
- 132327-80-1
- 1.4 CID
- 10919157
- 1.5 EINECS(EC#)
- 603-564-1
- 1.6 Molecular Formula
- C39H34N2O5 (isomer)
- 1.7 Inchi
- InChI=1S/C39H34N2O5/c42-36(41-39(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29)25-24-35(37(43)44)40-38(45)46-26-34-32-22-12-10-20-30(32)31-21-11-13-23-33(31)34/h1-23,34-35H,24-26H2,(H,40,45)(H,41,42)(H,43,44)/t35-/m0/s1
- 1.8 InChkey
- WDGICUODAOGOMO-DHUJRADRSA-N
- 1.9 Canonical Smiles
- C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)CCC(C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
- 1.10 Isomers Smiles
- C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)CC[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
2. Properties
- 2.1 Density
- 1.256
- 2.1 Melting point
- 165-172℃
- 2.1 Boiling point
- 873.5 °C at 760 mmHg
- 2.1 Refractive index
- 1.636
- 2.1 Flash Point
- 482.1 °C
- 2.1 Precise Quality
- 610.24700
- 2.1 PSA
- 104.73000
- 2.1 logP
- 7.64860
- 2.1 Solubility
- 1mmol in 2ml DMF Clearly Soluble
- 2.2 Appearance
- White to off white powder
- 2.3 Storage
- Keep Cold. Moisture Sensitive. Store under Argon.
- 2.4 Chemical Properties
- white to light yellow crystal powde Nalpha-Fmoc-Ndelta-trityl-L-glutamineSupplier
- 2.5 Color/Form
- White to yellow
- 2.6 pKa
- 3.73±0.10(Predicted)
- 2.7 Water Solubility
- 1mmol in 2ml DMF Clearly Soluble
- 2.8 StorageTemp
- 2-8°C
3. Safety and Handling
- 3.1 Symbol
- GHS07
- 3.1 Hazard Codes
- Xi
- 3.1 Signal Word
- Warning
- 3.1 Risk Statements
- R36/37/38
- 3.1 Safety Statements
- S22;S24/25
- 3.1 Hazard Declaration
- H317-H413
- 3.1 RIDADR
- NONH for all modes of transport
- 3.1 Caution Statement
- P280
- 3.1 WGK Germany
- 3
- 3.1 Safety
-
Hazard Codes:?
Xi
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-26?
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
F: 10-21
- 3.2 Specification
-
?Fmoc-Gln(Trt)-OH , its cas register number 132327-80-1. It also can be called?Nalpha-Fmoc-Ndelta-trityl-L-glutamine ; and N~2~-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-trityl-L-glutamine .
- 3.3 Toxicity
-
RTECS Number: No RTECS number has been assigned to Fmoc-Gln(Trt)-OH.
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Skin sensitization, Category 1
Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H317 May cause an allergic skin reaction H413 May cause long lasting harmful effects to aquatic life |
| Precautionary statement(s) | |
| Prevention | P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P280 Wear protective gloves/protective clothing/eye protection/face protection. P273 Avoid release to the environment. |
| Response | P302+P352 IF ON SKIN: Wash with plenty of water/... P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
5. Synthesis Route
132327-80-1Total: 6 Synthesis Route
7. Other Information
- 7.0 BRN
- 4343953
- 7.1 Chemical Properties
- white to light yellow crystal powde
8. Computational chemical data
- Molecular Weight: 610.6977g/mol
- Molecular Formula: C39H34N2O5
- Compound Is Canonicalized: True
- XLogP3-AA: 7
- Exact Mass: 610.24677219
- Monoisotopic Mass: 610.24677219
- Complexity: 946
- Rotatable Bond Count: 12
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 105
- Heavy Atom Count: 46
- 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: AAADcfB/OAAAAAAAAAAAAAAAAAAAAYAAAAAwYMGDAAAAAGABVAAAHgAQCAAADajhmAYwCILABgCIAiHSGACCAAAgAAAIiIGIBIkKIDKAkTGMYAhk1gGYiAec1/IOgAAAAAAQAAAAAAAAACAAAQAACAAAAA==
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10. Realated Product Infomation
skype
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