Basic information
- CAS
860787-38-8- Standard SMILES
CC(C)(C)OC(=O)NC(CC(=O)O)c1ccc(F)cc1F- InChIKey
GCMABDJIXXRLPM-UHFFFAOYSA-N- Molecular formula
- C14H17F2NO4
- Average molar mass
- 301.29 g/mol
- Monoisotopic mass
- 301.11256435
Names & identifiers
- Preferred name
- 3-(((Tert-butoxy)carbonyl)amino)-3-(2,4-difluorophenyl)propanoic acid
- IUPAC
- 3-(2,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- English name
- 3-[(tert-Butoxycarbonyl)amino]-3-(2,4-difluorophenyl)propanoic acid
- Molecular formula
- C14H17F2NO4
- Molecular weight
- 301.29
Names & synonyms
3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid3-(((Tert-butoxy)carbonyl)amino)-3-(2,4-difluorophenyl)propanoic acidRefChem:488034103-825-5860787-38-83-[(tert-butoxycarbonyl)amino]-3-(2,4-difluorophenyl)propanoic acid3-((TERT-BUTOXYCARBONYL)AMINO)-3-(2,4-DIFLUOROPHENYL)PROPANOIC ACID3-(2,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acidbeta-[[(1,1-Dimethylethoxy)carbonyl]amino]-2,4-difluorobenzenepropanoic acidMFCD06496115SCHEMBL16680101DTXSID901147484
Show more names
3-(Boc-amino)-3-(2,4-difluorophenyl)propanoic acidβ-[[(1,1-dimethylethoxy)carbonyl]amino]-2,4-difluorophenylpropanoic acidBenzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-2,4-difluoro-
KJB78738AKOS005081557AB23527AB23557CS-0262173EN300-816703F673670SR-01000307527
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- Boiling point
- 415.3 · 415.3±45.0 °C(Predicted)
- Density
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- pka
- 4.3 · 4.30±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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