4-tert-butyl hydrogen N-((9H-fluoren-9-ylmethoxy)carbonyl)-L-aspartate
Basic information
- CAS
1217468-27-3- Standard SMILES
CC(C)(C)OC(=O)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O- InChIKey
FODJWPHPWBKDON-UHFFFAOYSA-N- Molecular formula
- C23H25NO6
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.16818752
Names & identifiers
- Preferred name
- 4-tert-butyl hydrogen N-((9H-fluoren-9-ylmethoxy)carbonyl)-L-aspartate
- IUPAC
- 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
- English name
- Fmoc-Asp(OtBu)-OH (U-13C4, 15N)
- Molecular formula
- C23H25NO6
- Molecular weight
- 416.4927
Names & synonyms
EINECS 276-251-74-tert-Butyl hydrogen N-((9H-fluoren-9-ylmethoxy)carbonyl)-L-aspartate4-tert-butyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartateRefChem:296355276-251-771989-14-5Fmoc-DL-Asp(Otbu)-OH205812-14-2Fmoc-D-Asp(OBut)-OH4-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-oxobutanoic acid4-(1,1-Dimethylethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]aspartateN-alpha-(9-Fluorenylmethoxycarbonyl)-L-aspartic acid beta-t-butyl ester
Show more names
[U-13C4,15N]-Fmoc-Asp(OtBu)-OHFmoc-Asp(OtBu)-OH (U-13C4, 15N)Fmoc-Asp(OtBu)-OH-13C4,15N
Fmoc-L-aspartic acid b-tert-butyl esterN-Alpha-Fmoc-D-aspartic acid beta-t-butyl esterN-Alpha-Fmoc-L-aspartic acid beta-t-butyl ester1217468-27-3Fmoc-L-Asp(OtBu)5BR9VNF2HWSCHEMBL3722284SCHEMBL29400614
Database identifiers
- CAS
1217468-27-3、205812-14-2、71989-14-5- PubChem CID
- 3085669
- UNII
- 5BR9VNF2HW
- EC Number
- 276-251-7
- Nikkaji
- J1.230.077H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 620
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- solid
- Major Application
- peptide synthesis
- InChIKey
- FODJWPHPWBKDON-YHPYBGJVSA-N
- SMILES
- CC(C)(C)O[13C](=O)[13CH2][13C@@H]([15NH]C(=O)OCC1c2ccccc2-c3ccccc13)[13C](O)=O
- UNSPSC Code
- 12352005 · 12352005
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
- PPE
- Eyeshields, Gloves
- Hazard Codes
- N
- Risk Statements
- 50 · 50/53
- Safety Statements
- 60 · 60-61
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 22.2% (2 of 9) of reports.
Warning
Hazard information
Regulatory InformationREACH registered substance: 4-tert-butyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate (EC: 276-251-7)
Hazard Classes and Categories
Skin Irrit. 2 (22.2%)
Aquatic Acute 1 (100%)
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- WGK 3
- risk_code
- 50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- N
- safety_code
- 60-61
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Applications
Usespeptide synthesis
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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