Basic information
- CAS
507472-20-0- Standard SMILES
O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C(F)(F)F)c1- InChIKey
YOGSOMNKKBEWAJ-QFIPXVFZSA-N- Molecular formula
- C25H20F3NO4
- Average molar mass
- 455.4 g/mol
- Monoisotopic mass
- 455.13444261
Names & identifiers
- Preferred name
- (3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[3-(trifluoromethyl)phenyl]propanoic acid
- IUPAC
- (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid
- English name
- Fmoc-(S)-3-amino-3-(3-trifluoromethyl-phenyl)-propionic acid
- Molecular formula
- C25H20F3NO4
- Molecular weight
- 455.43
Names & synonyms
(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[3-(trifluoromethyl)phenyl]propanoic acid(3S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(3-(trifluoromethyl)phenyl)propanoic acidRefChem:401233857-607-6507472-20-0(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(3-(trifluoromethyl)phenyl)propanoic acidFmoc-(S)-3-Amino-3-(3-trifluoromethyl-phenyl)-propionic acidMFCD03428002(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic AcidFmoc-3-Trifluoromethyl-L-b-phenylalanineFmoc-(S)-3-amino-3-(3-trifluoromethylphenyl)propionic acid(S)-Fmoc-beta-Phe(3-CF3)-OH
Show more names
Fmoc-β-Phe(3-CF3)-OHFMOC-D-PHG(3-CF3)-(C*CH2)OHFmoc-L-3-Amino-3-(3-trifluoromethylphenyl)propanoic acidFMOC-(S)-3-AMINO-3-(3-TRIFLUOROMETHYL-PHENYL)-PROPANOIC ACID
Fmoc-b-Phe(3-CF3)-OHRARECHEM LK FW 0018Fmoc-L-beta-Phe(3-CF3)-OHFmoc-L-|A-Phe(3-CF3)-OHDTXSID001123138FMOC-BETA-PHE(3-CF3)-OHAKOS016843777AC-25359
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 678
Physicochemical properties
- Boiling point
- 603.8 · 603.8±55.0 °C(Predicted)
- Density
- 1.35 · 1.350±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.18 · 4.18±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Suppliers46 total
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
深圳虹彩祥根生物科技有限公司+86-0755-89668383 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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