Basic information
- CAS
746672-87-7- Standard SMILES
O=C(NC(Cc1ccncc1)C(=O)O)OCC1c2ccccc2-c2ccccc21- InChIKey
SCSSXJVRZMQUKA-UHFFFAOYSA-N- Molecular formula
- C23H20N2O4
- Average molar mass
- 388.4 g/mol
Names & identifiers
- Preferred name
- 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(pyridin-4-yl)propanoic acid
- IUPAC
- 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid
- English name
- FMOC-3-(4-PYRIDYL)-DL-ALANINE
- Molecular formula
- C23H20N2O4
- Molecular weight
- 388.42
Names & synonyms
746672-87-72-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(pyridin-4-yl)propanoic acid2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(pyridin-4-yl)propanoic acidRefChem:446636857-454-5FMOC-DL-4-pyridylalanineFMOC-3-(4-PYRIDYL)-DL-ALANINEFmoc-DL-3-(4-Pyridyl)alanineMFCD037013312-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acidFmoc-L-4-PyridylalanineFmoc-D-3-(4-pyridyl)-alanine
Show more names
4-Pyridinepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]- (9CI)
SCHEMBL1770883SCHEMBL29492890SCHEMBL31688130Fmoc-DL-3-(4-Pyridyl)-alanineN-Fmoc-(4-Pyridyl)-DL-AlanineFmoc-DL-3-(4-Pyridyl)-Ala-OHWEB67287AKOS005073851
Database identifiers
- CAS
746672-87-7- PubChem CID
- 3882867
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 555
Physicochemical properties
- Boiling point
- 646.9 · 646.9±55.0 °C(Predicted)
- Density
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- pka
- 3.32 · 3.32±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
Safety & regulation
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers18 total
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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
北京伊诺凯科技有限公司15652467323 · [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]
上海瀚思化工有限公司17717618050 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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