Basic information
- CAS
678991-94-1- Standard SMILES
O=C(NC(Cc1ccsc1)C(=O)O)OCC1c2ccccc2-c2ccccc21- InChIKey
LSBZJMRHROCYGY-UHFFFAOYSA-N- Molecular formula
- C22H19NO4S
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.10347909
Names & identifiers
- Preferred name
- FMOC-DL-3-thienylalanine
- IUPAC
- 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-3-ylpropanoic acid
- English name
- FMOC-3-(3-THIENYL)-DL-ALANINE
- Molecular formula
- C22H19NO4S
- Molecular weight
- 393.46
Names & synonyms
FMOC-DL-3-thienylalanine678991-94-1fmoc-3-(3-thienyl)-dl-alanineMFCD066568622-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-3-ylpropanoic acid2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(thiophen-3-yl)propanoic acid2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(thiophen-3-yl)propanoic acidFmoc-D-3-(3-Thienyl)alanineFmoc-L-3-(3-Thienyl)alanineSCHEMBL3728209Fmoc-b-(3-thienyl)-D-alanineFmoc-b-(3-thienyl)-L-alanine
Show more names
3-Thiophenepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-
DTXSID40405510AKOS005073852SS-3926PD196978SY399304DB-044592DB-045775CS-0454847
Database identifiers
- CAS
678991-94-1- PubChem CID
- 4682183
- DTXSID
DTXSID40405510
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 549
Physicochemical properties
- Boiling point
- 626.317 · 626.317±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.343 · 1.343±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Store at room temperature
- pka
- 3.739 · 3.739±0.10(predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers9 total
吉尔生化（玉门）有限公司18221406464 18221406464;13236395639 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
吉尔多肽生物制药（大连市）有限公司021-61263455 13167021076 · [email protected]
上海吉奉生物科技有限公司021-61263377 15023907684 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…