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Nalpha-Fmoc-Ndelta-trityl-L-glutamine structure
Nalpha-Fmoc-Ndelta-trityl-L-glutamine structure

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:?IrritantXi
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

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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